2-methyl-4-[2-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one

C31H30N4O3 — CID 163411021

IUPAC2-methyl-4-[2-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one
SMILESCN1CCN(CCOc2ccc(-c3ccc4cc(-c5cn(C)c(=O)c6c5C=CC6)ccc4n3)cc2)CC1=O
InChIInChI=1S/C31H30N4O3/c1-33-14-15-35(20-30(33)36)16-17-38-24-10-6-21(7-11-24)28-13-9-23-18-22(8-12-29(23)32-28)27-19-34(2)31(37)26-5-3-4-25(26)27/h3-4,6-13,18-19H,5,14-17,20H2,1-2H3
InChIKeyLMDNYHDWZOACOY-UHFFFAOYSA-N
MW506.61 g/mol
LogP3.99
Rot. Bonds6

About 2-methyl-4-[2-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one

2-methyl-4-[2-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one (PubChem CID 163411021) has the molecular formula C31H30N4O3 and a molecular weight of 506.61 g/mol. Its IUPAC name is 2-methyl-4-[2-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one.

Molecular Properties

Compound Name2-methyl-4-[2-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one
PubChem CID163411021
Molecular FormulaC31H30N4O3
Molecular Weight506.61 g/mol
Exact Mass506.23
IUPAC Name2-methyl-4-[2-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one
SMILESCN1CCN(CCOc2ccc(-c3ccc4cc(-c5cn(C)c(=O)c6c5C=CC6)ccc4n3)cc2)CC1=O
InChIInChI=1S/C31H30N4O3/c1-33-14-15-35(20-30(33)36)16-17-38-24-10-6-21(7-11-24)28-13-9-23-18-22(8-12-29(23)32-28)27-19-34(2)31(37)26-5-3-4-25(26)27/h3-4,6-13,18-19H,5,14-17,20H2,1-2H3
InChIKeyLMDNYHDWZOACOY-UHFFFAOYSA-N
XLogP3.99
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.61
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[2-[4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one
CID 163411027
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
4-[2-[4-[2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 148931791
4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1-propylpiperazin-2-one
CID 154950710
4-[2-[4-[2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
CID 164705159
4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one
CID 64694771
4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one
CID 163591848
6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one
CID 163547694
4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one
CID 64682601
4-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl]-1-methylpiperazin-2-one
CID 64695385
4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 164705162
4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one
CID 70763782

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one?
The IUPAC name of 2-methyl-4-[2-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one (CID 163411021) is 2-methyl-4-[2-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one.
What is the SMILES notation for 2-methyl-4-[2-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one?
The canonical SMILES for 2-methyl-4-[2-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one is CN1CCN(CCOc2ccc(-c3ccc4cc(-c5cn(C)c(=O)c6c5C=CC6)ccc4n3)cc2)CC1=O.
What is the InChIKey of 2-methyl-4-[2-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one?
The InChIKey is LMDNYHDWZOACOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O3/c1-33-14-15-35(20-30(33)36)16-17-38-24-10-6-21(7-11-24)28-13-9-23-18-22(8-12-29(23)32-28)27-19-34(2)31(37)26-5-3-4-25(26)27/h3-4,6-13,18-19H,5,14-17,20H2,1-2H3.
What are the key properties of 2-methyl-4-[2-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one?
2-methyl-4-[2-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one has a molecular weight of 506.61 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one is sourced from PubChem (CID 163411021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).