3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid

C118H135F6N19O12 — CID 159028882

IUPAC3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCOc1c(NCCCc2ccccc2)c(F)c(N)c2c(=O)c(C(C)=O)cn(C(C)C)c12.COc1c(NCCCc2ccccc2)c(F)c(N)c2c(=O)c(C)cn(C3CCCC3)c12.COc1c(NCCCn2ccc3ccccc32)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(NCCCn2ccnc2)c(F)c(N)c2c(=O)c(C)cn(C3CCCC3)c12.Nc1c(F)c(NCCCc2ccccn2)c(F)c2c1c(=O)ccn2C1CCCC1
InChIInChI=1S/C25H25FN4O4.C25H30FN3O2.C24H28FN3O3.C22H24F2N4O.C22H28FN5O2/c1-34-24-21(28-10-4-11-29-12-9-14-5-2-3-6-17(14)29)19(26)20(27)18-22(24)30(15-7-8-15)13-16(23(18)31)25(32)33;1-16-15-29(18-12-6-7-13-18)23-19(24(16)30)21(27)20(26)22(25(23)31-2)28-14-8-11-17-9-4-3-5-10-17;1-14(2)28-13-17(15(3)29)23(30)18-20(26)19(25)21(24(31-4)22(18)28)27-12-8-11-16-9-6-5-7-10-16;23-18-20(25)17-16(29)10-13-28(15-8-1-2-9-15)22(17)19(24)21(18)27-12-5-7-14-6-3-4-11-26-14;1-14-12-28(15-6-3-4-7-15)20-16(21(14)29)18(24)17(23)19(22(20)30-2)26-8-5-10-27-11-9-25-13-27/h2-3,5-6,9,12-13,15,28H,4,7-8,10-11,27H2,1H3,(H,32,33);3-5,9-10,15,18,28H,6-8,11-14,27H2,1-2H3;5-7,9-10,13-14,27H,8,11-12,26H2,1-4H3;3-4,6,10-11,13,15,27H,1-2,5,7-9,12,25H2;9,11-13,15,26H,3-8,10,24H2,1-2H3
InChIKeyJUPUNWYXMPDYHT-UHFFFAOYSA-N
MW2125.49 g/mol
LogP22.25
Rot. Bonds36

About 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid

3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 159028882) has the molecular formula C118H135F6N19O12 and a molecular weight of 2125.49 g/mol. Its IUPAC name is 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid
PubChem CID159028882
Molecular FormulaC118H135F6N19O12
Molecular Weight2125.49 g/mol
Exact Mass2124.04
IUPAC Name3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCOc1c(NCCCc2ccccc2)c(F)c(N)c2c(=O)c(C(C)=O)cn(C(C)C)c12.COc1c(NCCCc2ccccc2)c(F)c(N)c2c(=O)c(C)cn(C3CCCC3)c12.COc1c(NCCCn2ccc3ccccc32)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(NCCCn2ccnc2)c(F)c(N)c2c(=O)c(C)cn(C3CCCC3)c12.Nc1c(F)c(NCCCc2ccccn2)c(F)c2c1c(=O)ccn2C1CCCC1
InChIInChI=1S/C25H25FN4O4.C25H30FN3O2.C24H28FN3O3.C22H24F2N4O.C22H28FN5O2/c1-34-24-21(28-10-4-11-29-12-9-14-5-2-3-6-17(14)29)19(26)20(27)18-22(24)30(15-7-8-15)13-16(23(18)31)25(32)33;1-16-15-29(18-12-6-7-13-18)23-19(24(16)30)21(27)20(26)22(25(23)31-2)28-14-8-11-17-9-4-3-5-10-17;1-14(2)28-13-17(15(3)29)23(30)18-20(26)19(25)21(24(31-4)22(18)28)27-12-8-11-16-9-6-5-7-10-16;23-18-20(25)17-16(29)10-13-28(15-8-1-2-9-15)22(17)19(24)21(18)27-12-5-7-14-6-3-4-11-26-14;1-14-12-28(15-6-3-4-7-15)20-16(21(14)29)18(24)17(23)19(22(20)30-2)26-8-5-10-27-11-9-25-13-27/h2-3,5-6,9,12-13,15,28H,4,7-8,10-11,27H2,1H3,(H,32,33);3-5,9-10,15,18,28H,6-8,11-14,27H2,1-2H3;5-7,9-10,13-14,27H,8,11-12,26H2,1-4H3;3-4,6,10-11,13,15,27H,1-2,5,7-9,12,25H2;9,11-13,15,26H,3-8,10,24H2,1-2H3
InChIKeyJUPUNWYXMPDYHT-UHFFFAOYSA-N
XLogP22.25
TPSA427.18 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds36
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002125.49
LogP ≤ 522.25
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid (CID 159028882) is 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid is COc1c(NCCCc2ccccc2)c(F)c(N)c2c(=O)c(C(C)=O)cn(C(C)C)c12.COc1c(NCCCc2ccccc2)c(F)c(N)c2c(=O)c(C)cn(C3CCCC3)c12.COc1c(NCCCn2ccc3ccccc32)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(NCCCn2ccnc2)c(F)c(N)c2c(=O)c(C)cn(C3CCCC3)c12.Nc1c(F)c(NCCCc2ccccn2)c(F)c2c1c(=O)ccn2C1CCCC1.
What is the InChIKey of 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The InChIKey is JUPUNWYXMPDYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4.C25H30FN3O2.C24H28FN3O3.C22H24F2N4O.C22H28FN5O2/c1-34-24-21(28-10-4-11-29-12-9-14-5-2-3-6-17(14)29)19(26)20(27)18-22(24)30(15-7-8-15)13-16(23(18)31)25(32)33;1-16-15-29(18-12-6-7-13-18)23-19(24(16)30)21(27)20(26)22(25(23)31-2)28-14-8-11-17-9-4-3-5-10-17;1-14(2)28-13-17(15(3)29)23(30)18-20(26)19(25)21(24(31-4)22(18)28)27-12-8-11-16-9-6-5-7-10-16;23-18-20(25)17-16(29)10-13-28(15-8-1-2-9-15)22(17)19(24)21(18)27-12-5-7-14-6-3-4-11-26-14;1-14-12-28(15-6-3-4-7-15)20-16(21(14)29)18(24)17(23)19(22(20)30-2)26-8-5-10-27-11-9-25-13-27/h2-3,5-6,9,12-13,15,28H,4,7-8,10-11,27H2,1H3,(H,32,33);3-5,9-10,15,18,28H,6-8,11-14,27H2,1-2H3;5-7,9-10,13-14,27H,8,11-12,26H2,1-4H3;3-4,6,10-11,13,15,27H,1-2,5,7-9,12,25H2;9,11-13,15,26H,3-8,10,24H2,1-2H3.
What are the key properties of 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid?
3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 2125.49 g/mol, XLogP of 22.25, 36 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 159028882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).