5-anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;bis(1-[5-anilino-3-(propylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone);5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid

C109H97F3N24O8 — CID 158869537

IUPAC5-anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;bis(1-[5-anilino-3-(propylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone);5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid
SMILESCCCNc1ncc2c(n1)c(Nc1ccccc1)nc1cc(C(C)=O)ccc12.CCCNc1ncc2c(n1)c(Nc1ccccc1)nc1cc(C(C)=O)ccc12.CCN(CC)CCCc1ncc2c(n1)c(Nc1ccccc1)nc1cc(C(=O)O)ccc12.O=C(O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)c1ncncc12.O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(NC3CC3)ncc12
InChIInChI=1S/C25H27N5O2.2C22H21N5O.C21H17N5O2.C19H11F3N4O2/c1-3-30(4-2)14-8-11-22-26-16-20-19-13-12-17(25(31)32)15-21(19)28-24(23(20)29-22)27-18-9-6-5-7-10-18;2*1-3-11-23-22-24-13-18-17-10-9-15(14(2)28)12-19(17)26-21(20(18)27-22)25-16-7-5-4-6-8-16;27-20(28)12-6-9-15-16-11-22-21(24-14-7-8-14)26-18(16)19(25-17(15)10-12)23-13-4-2-1-3-5-13;20-19(21,22)11-2-1-3-12(7-11)25-17-16-14(8-23-9-24-16)13-5-4-10(18(27)28)6-15(13)26-17/h5-7,9-10,12-13,15-16H,3-4,8,11,14H2,1-2H3,(H,27,28)(H,31,32);2*4-10,12-13H,3,11H2,1-2H3,(H,25,26)(H,23,24,27);1-6,9-11,14H,7-8H2,(H,23,25)(H,27,28)(H,22,24,26);1-9H,(H,25,26)(H,27,28)
InChIKeyJBQZAHVEQIHHPF-UHFFFAOYSA-N
MW1928.13 g/mol
LogP23.62
Rot. Bonds29

About 5-anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;bis(1-[5-anilino-3-(propylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone);5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid

5-anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;bis(1-[5-anilino-3-(propylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone);5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid (PubChem CID 158869537) has the molecular formula C109H97F3N24O8 and a molecular weight of 1928.13 g/mol. Its IUPAC name is 5-anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;bis(1-[5-anilino-3-(propylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone);5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name5-anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;bis(1-[5-anilino-3-(propylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone);5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid
PubChem CID158869537
Molecular FormulaC109H97F3N24O8
Molecular Weight1928.13 g/mol
Exact Mass1926.79
IUPAC Name5-anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;bis(1-[5-anilino-3-(propylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone);5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid
SMILESCCCNc1ncc2c(n1)c(Nc1ccccc1)nc1cc(C(C)=O)ccc12.CCCNc1ncc2c(n1)c(Nc1ccccc1)nc1cc(C(C)=O)ccc12.CCN(CC)CCCc1ncc2c(n1)c(Nc1ccccc1)nc1cc(C(=O)O)ccc12.O=C(O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)c1ncncc12.O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(NC3CC3)ncc12
InChIInChI=1S/C25H27N5O2.2C22H21N5O.C21H17N5O2.C19H11F3N4O2/c1-3-30(4-2)14-8-11-22-26-16-20-19-13-12-17(25(31)32)15-21(19)28-24(23(20)29-22)27-18-9-6-5-7-10-18;2*1-3-11-23-22-24-13-18-17-10-9-15(14(2)28)12-19(17)26-21(20(18)27-22)25-16-7-5-4-6-8-16;27-20(28)12-6-9-15-16-11-22-21(24-14-7-8-14)26-18(16)19(25-17(15)10-12)23-13-4-2-1-3-5-13;20-19(21,22)11-2-1-3-12(7-11)25-17-16-14(8-23-9-24-16)13-5-4-10(18(27)28)6-15(13)26-17/h5-7,9-10,12-13,15-16H,3-4,8,11,14H2,1-2H3,(H,27,28)(H,31,32);2*4-10,12-13H,3,11H2,1-2H3,(H,25,26)(H,23,24,27);1-6,9-11,14H,7-8H2,(H,23,25)(H,27,28)(H,22,24,26);1-9H,(H,25,26)(H,27,28)
InChIKeyJBQZAHVEQIHHPF-UHFFFAOYSA-N
XLogP23.62
TPSA438.87 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds29
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001928.13
LogP ≤ 523.62
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;bis(1-[5-anilino-3-(propylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone);5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid with MolForge

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Related Compounds

5-(3-Ethynylphenylamino)pyrimido(4,5-c)quinoline-8-carboxylic acid
CID 53326156
CX-5279
CID 72200387
3-(Cyclopropylamino)-5-(3-(trifluoromethyl)phenylamino)pyrimido(4,5-c)quinoline-8-carboxylic acid
CID 49779959
3-(Cyclopropylamino)-5-phenylpyrimido[4,5-c]quinoline-8-carboxylic acid
CID 25222170
5-(3-Cyanoanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 25002772
5-(3-Chloroanilino)-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 53316959
3,5-Dianilinopyrimido[4,5-c]quinoline-8-carboxylic acid
CID 53316960
5-(3,5-Difluoroanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 53318248
5-(3-Fluoroanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 53319610
5-(3-Chloroanilino)-3-(propan-2-ylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 53319611
5-Anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 53320899
3-(cyclopropylamino)-5-(N-methylanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 53323575

Frequently Asked Questions

What is the IUPAC name of 5-anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;bis(1-[5-anilino-3-(propylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone);5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid?
The IUPAC name of 5-anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;bis(1-[5-anilino-3-(propylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone);5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid (CID 158869537) is 5-anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;bis(1-[5-anilino-3-(propylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone);5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid.
What is the SMILES notation for 5-anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;bis(1-[5-anilino-3-(propylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone);5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid?
The canonical SMILES for 5-anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;bis(1-[5-anilino-3-(propylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone);5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid is CCCNc1ncc2c(n1)c(Nc1ccccc1)nc1cc(C(C)=O)ccc12.CCCNc1ncc2c(n1)c(Nc1ccccc1)nc1cc(C(C)=O)ccc12.CCN(CC)CCCc1ncc2c(n1)c(Nc1ccccc1)nc1cc(C(=O)O)ccc12.O=C(O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)c1ncncc12.O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(NC3CC3)ncc12.
What is the InChIKey of 5-anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;bis(1-[5-anilino-3-(propylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone);5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid?
The InChIKey is JBQZAHVEQIHHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2.2C22H21N5O.C21H17N5O2.C19H11F3N4O2/c1-3-30(4-2)14-8-11-22-26-16-20-19-13-12-17(25(31)32)15-21(19)28-24(23(20)29-22)27-18-9-6-5-7-10-18;2*1-3-11-23-22-24-13-18-17-10-9-15(14(2)28)12-19(17)26-21(20(18)27-22)25-16-7-5-4-6-8-16;27-20(28)12-6-9-15-16-11-22-21(24-14-7-8-14)26-18(16)19(25-17(15)10-12)23-13-4-2-1-3-5-13;20-19(21,22)11-2-1-3-12(7-11)25-17-16-14(8-23-9-24-16)13-5-4-10(18(27)28)6-15(13)26-17/h5-7,9-10,12-13,15-16H,3-4,8,11,14H2,1-2H3,(H,27,28)(H,31,32);2*4-10,12-13H,3,11H2,1-2H3,(H,25,26)(H,23,24,27);1-6,9-11,14H,7-8H2,(H,23,25)(H,27,28)(H,22,24,26);1-9H,(H,25,26)(H,27,28).
What are the key properties of 5-anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;bis(1-[5-anilino-3-(propylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone);5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid?
5-anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;bis(1-[5-anilino-3-(propylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone);5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid has a molecular weight of 1928.13 g/mol, XLogP of 23.62, 29 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;bis(1-[5-anilino-3-(propylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone);5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid is sourced from PubChem (CID 158869537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).