4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-diazepan-1-yl]ethoxy]phenyl]quinolin-6-yl]-2-methyl-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[6-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-propylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one

C130H128N16O12 — CID 163896731

IUPAC4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-diazepan-1-yl]ethoxy]phenyl]quinolin-6-yl]-2-methyl-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[6-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-propylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one
SMILESC#CCN1CCN(CCOc2ccc(-c3ccc4cc(-c5cn(C)c(=O)c6c5C=CC6)ccc4n3)cc2)CC1=O.CCCN1CCN(CCOc2ccc(-c3ccc4cc(-c5cn(C)c(=O)c6c5C=CC6)ccc4n3)cc2)CC1=O.CN1CCN(CCOc2ccc(-c3ccc4nc(-c5cn(C)c(=O)c6c5C=CC6)ccc4c3)cc2)CC1=O.C[C@@H]1C(=O)N(C)CCCN1CCOc1ccc(-c2ccc3cc(-c4cn(C)c(=O)c5c4C=CC5)ccc3n2)cc1
InChIInChI=1S/2C33H34N4O3.C33H30N4O3.C31H30N4O3/c1-22-32(38)35(2)16-5-17-37(22)18-19-40-26-12-8-23(9-13-26)30-15-11-25-20-24(10-14-31(25)34-30)29-21-36(3)33(39)28-7-4-6-27(28)29;2*1-3-15-37-17-16-36(22-32(37)38)18-19-40-26-11-7-23(8-12-26)30-14-10-25-20-24(9-13-31(25)34-30)29-21-35(2)33(39)28-6-4-5-27(28)29;1-33-14-15-35(20-30(33)36)16-17-38-24-10-6-21(7-11-24)22-8-12-28-23(18-22)9-13-29(32-28)27-19-34(2)31(37)26-5-3-4-25(26)27/h4,6,8-15,20-22H,5,7,16-19H2,1-3H3;4-5,7-14,20-21H,3,6,15-19,22H2,1-2H3;1,4-5,7-14,20-21H,6,15-19,22H2,2H3;3-4,6-13,18-19H,5,14-17,20H2,1-2H3/t22-;;;/m1.../s1
InChIKeyQGHHPJNTIHDEBX-YJZWPAEXSA-N
MW2106.55 g/mol
LogP17.52
Rot. Bonds27

About 4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-diazepan-1-yl]ethoxy]phenyl]quinolin-6-yl]-2-methyl-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[6-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-propylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one

4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-diazepan-1-yl]ethoxy]phenyl]quinolin-6-yl]-2-methyl-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[6-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-propylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one (PubChem CID 163896731) has the molecular formula C130H128N16O12 and a molecular weight of 2106.55 g/mol. Its IUPAC name is 4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-diazepan-1-yl]ethoxy]phenyl]quinolin-6-yl]-2-methyl-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[6-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-propylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one.

Molecular Properties

Compound Name4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-diazepan-1-yl]ethoxy]phenyl]quinolin-6-yl]-2-methyl-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[6-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-propylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one
PubChem CID163896731
Molecular FormulaC130H128N16O12
Molecular Weight2106.55 g/mol
Exact Mass2104.99
IUPAC Name4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-diazepan-1-yl]ethoxy]phenyl]quinolin-6-yl]-2-methyl-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[6-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-propylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one
SMILESC#CCN1CCN(CCOc2ccc(-c3ccc4cc(-c5cn(C)c(=O)c6c5C=CC6)ccc4n3)cc2)CC1=O.CCCN1CCN(CCOc2ccc(-c3ccc4cc(-c5cn(C)c(=O)c6c5C=CC6)ccc4n3)cc2)CC1=O.CN1CCN(CCOc2ccc(-c3ccc4nc(-c5cn(C)c(=O)c6c5C=CC6)ccc4c3)cc2)CC1=O.C[C@@H]1C(=O)N(C)CCCN1CCOc1ccc(-c2ccc3cc(-c4cn(C)c(=O)c5c4C=CC5)ccc3n2)cc1
InChIInChI=1S/2C33H34N4O3.C33H30N4O3.C31H30N4O3/c1-22-32(38)35(2)16-5-17-37(22)18-19-40-26-12-8-23(9-13-26)30-15-11-25-20-24(10-14-31(25)34-30)29-21-36(3)33(39)28-7-4-6-27(28)29;2*1-3-15-37-17-16-36(22-32(37)38)18-19-40-26-11-7-23(8-12-26)30-14-10-25-20-24(9-13-31(25)34-30)29-21-35(2)33(39)28-6-4-5-27(28)29;1-33-14-15-35(20-30(33)36)16-17-38-24-10-6-21(7-11-24)22-8-12-28-23(18-22)9-13-29(32-28)27-19-34(2)31(37)26-5-3-4-25(26)27/h4,6,8-15,20-22H,5,7,16-19H2,1-3H3;4-5,7-14,20-21H,3,6,15-19,22H2,1-2H3;1,4-5,7-14,20-21H,6,15-19,22H2,2H3;3-4,6-13,18-19H,5,14-17,20H2,1-2H3/t22-;;;/m1.../s1
InChIKeyQGHHPJNTIHDEBX-YJZWPAEXSA-N
XLogP17.52
TPSA270.68 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds27
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002106.55
LogP ≤ 517.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-diazepan-1-yl]ethoxy]phenyl]quinolin-6-yl]-2-methyl-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[6-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-propylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-diazepan-1-yl]ethoxy]phenyl]quinolin-6-yl]-2-methyl-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[6-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-propylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one?
The IUPAC name of 4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-diazepan-1-yl]ethoxy]phenyl]quinolin-6-yl]-2-methyl-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[6-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-propylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one (CID 163896731) is 4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-diazepan-1-yl]ethoxy]phenyl]quinolin-6-yl]-2-methyl-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[6-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-propylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one.
What is the SMILES notation for 4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-diazepan-1-yl]ethoxy]phenyl]quinolin-6-yl]-2-methyl-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[6-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-propylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one?
The canonical SMILES for 4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-diazepan-1-yl]ethoxy]phenyl]quinolin-6-yl]-2-methyl-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[6-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-propylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one is C#CCN1CCN(CCOc2ccc(-c3ccc4cc(-c5cn(C)c(=O)c6c5C=CC6)ccc4n3)cc2)CC1=O.CCCN1CCN(CCOc2ccc(-c3ccc4cc(-c5cn(C)c(=O)c6c5C=CC6)ccc4n3)cc2)CC1=O.CN1CCN(CCOc2ccc(-c3ccc4nc(-c5cn(C)c(=O)c6c5C=CC6)ccc4c3)cc2)CC1=O.C[C@@H]1C(=O)N(C)CCCN1CCOc1ccc(-c2ccc3cc(-c4cn(C)c(=O)c5c4C=CC5)ccc3n2)cc1.
What is the InChIKey of 4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-diazepan-1-yl]ethoxy]phenyl]quinolin-6-yl]-2-methyl-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[6-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-propylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one?
The InChIKey is QGHHPJNTIHDEBX-YJZWPAEXSA-N. The full InChI is InChI=1S/2C33H34N4O3.C33H30N4O3.C31H30N4O3/c1-22-32(38)35(2)16-5-17-37(22)18-19-40-26-12-8-23(9-13-26)30-15-11-25-20-24(10-14-31(25)34-30)29-21-36(3)33(39)28-7-4-6-27(28)29;2*1-3-15-37-17-16-36(22-32(37)38)18-19-40-26-11-7-23(8-12-26)30-14-10-25-20-24(9-13-31(25)34-30)29-21-35(2)33(39)28-6-4-5-27(28)29;1-33-14-15-35(20-30(33)36)16-17-38-24-10-6-21(7-11-24)22-8-12-28-23(18-22)9-13-29(32-28)27-19-34(2)31(37)26-5-3-4-25(26)27/h4,6,8-15,20-22H,5,7,16-19H2,1-3H3;4-5,7-14,20-21H,3,6,15-19,22H2,1-2H3;1,4-5,7-14,20-21H,6,15-19,22H2,2H3;3-4,6-13,18-19H,5,14-17,20H2,1-2H3/t22-;;;/m1.../s1.
What are the key properties of 4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-diazepan-1-yl]ethoxy]phenyl]quinolin-6-yl]-2-methyl-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[6-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-propylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one?
4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-diazepan-1-yl]ethoxy]phenyl]quinolin-6-yl]-2-methyl-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[6-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-propylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one has a molecular weight of 2106.55 g/mol, XLogP of 17.52, 27 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-diazepan-1-yl]ethoxy]phenyl]quinolin-6-yl]-2-methyl-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[6-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-propylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one is sourced from PubChem (CID 163896731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).