3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide

C19H18ClN3O2 — CID 5130466

IUPAC3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc2nc3cc(Cl)ccc3c(=O)n2c1
InChIInChI=1S/C19H18ClN3O2/c20-13-7-8-15-16(10-13)22-17-9-6-12(11-23(17)19(15)25)18(24)21-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,21,24)
InChIKeyQIULNELXBWYHIX-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.56
Rot. Bonds2

About 3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide

3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide (PubChem CID 5130466) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide.

Molecular Properties

Compound Name3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
PubChem CID5130466
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc2nc3cc(Cl)ccc3c(=O)n2c1
InChIInChI=1S/C19H18ClN3O2/c20-13-7-8-15-16(10-13)22-17-9-6-12(11-23(17)19(15)25)18(24)21-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,21,24)
InChIKeyQIULNELXBWYHIX-UHFFFAOYSA-N
XLogP3.56
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-chloro-11-oxo-N-(2-phenylethyl)pyrido[2,1-b]quinazoline-8-carboxamide
CID 3625637
3-chloro-8-(morpholine-4-carbonyl)pyrido[2,1-b]quinazolin-11-one
CID 5215714
N-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22550936
3-(4-chlorophenyl)-N-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134788032
1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea
CID 3895927
(2R)-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-cyclohexylpropanamide
CID 7428000
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide
CID 24829708
2-[7-chloro-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-cyclooctylacetamide
CID 40960765
N-cycloheptylimidazo[1,2-a]pyridine-6-carboxamide
CID 110704018
7-chloro-N-cyclopentylquinoline-2-carboxamide
CID 110490278
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopentyl-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 46284504
2-[7-chloro-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-cyclopentylacetamide
CID 7739460

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide?
The IUPAC name of 3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide (CID 5130466) is 3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide.
What is the SMILES notation for 3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide?
The canonical SMILES for 3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide is O=C(NC1CCCCC1)c1ccc2nc3cc(Cl)ccc3c(=O)n2c1.
What is the InChIKey of 3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide?
The InChIKey is QIULNELXBWYHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-13-7-8-15-16(10-13)22-17-9-6-12(11-23(17)19(15)25)18(24)21-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,21,24).
What are the key properties of 3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide?
3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide is sourced from PubChem (CID 5130466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).