1-[4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one

C34H29N5O3 — CID 90182390

IUPAC1-[4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCC(O)C(=O)N1CC=C(c2ccc(-n3c(=O)n(C)c4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2)CC1
InChIInChI=1S/C34H29N5O3/c1-21(40)33(41)38-15-13-23(14-16-38)22-7-10-27(11-8-22)39-32-28-18-24(26-17-25-5-3-4-6-29(25)35-19-26)9-12-30(28)36-20-31(32)37(2)34(39)42/h3-13,17-21,40H,14-16H2,1-2H3
InChIKeyWYLADEJRFUTBFF-UHFFFAOYSA-N
MW555.64 g/mol
LogP5.09
Rot. Bonds4

About 1-[4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one

1-[4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one (PubChem CID 90182390) has the molecular formula C34H29N5O3 and a molecular weight of 555.64 g/mol. Its IUPAC name is 1-[4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-[4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
PubChem CID90182390
Molecular FormulaC34H29N5O3
Molecular Weight555.64 g/mol
Exact Mass555.23
IUPAC Name1-[4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCC(O)C(=O)N1CC=C(c2ccc(-n3c(=O)n(C)c4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2)CC1
InChIInChI=1S/C34H29N5O3/c1-21(40)33(41)38-15-13-23(14-16-38)22-7-10-27(11-8-22)39-32-28-18-24(26-17-25-5-3-4-6-29(25)35-19-26)9-12-30(28)36-20-31(32)37(2)34(39)42/h3-13,17-21,40H,14-16H2,1-2H3
InChIKeyWYLADEJRFUTBFF-UHFFFAOYSA-N
XLogP5.09
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.64
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-[4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one (CID 90182390) is 1-[4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-[4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-[4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one is CC(O)C(=O)N1CC=C(c2ccc(-n3c(=O)n(C)c4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2)CC1.
What is the InChIKey of 1-[4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
The InChIKey is WYLADEJRFUTBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N5O3/c1-21(40)33(41)38-15-13-23(14-16-38)22-7-10-27(11-8-22)39-32-28-18-24(26-17-25-5-3-4-6-29(25)35-19-26)9-12-30(28)36-20-31(32)37(2)34(39)42/h3-13,17-21,40H,14-16H2,1-2H3.
What are the key properties of 1-[4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
1-[4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one has a molecular weight of 555.64 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 90182390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).