2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide

C19H13ClN4O2 — CID 3590750

IUPAC2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide
SMILESO=C(NCc1ccccn1)c1cccn2c(=O)c3cc(Cl)ccc3nc12
InChIInChI=1S/C19H13ClN4O2/c20-12-6-7-16-15(10-12)19(26)24-9-3-5-14(17(24)23-16)18(25)22-11-13-4-1-2-8-21-13/h1-10H,11H2,(H,22,25)
InChIKeyPRCSADNUCXWNTH-UHFFFAOYSA-N
MW364.79 g/mol
LogP2.83
Rot. Bonds3

About 2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide

2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide (PubChem CID 3590750) has the molecular formula C19H13ClN4O2 and a molecular weight of 364.79 g/mol. Its IUPAC name is 2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound Name2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide
PubChem CID3590750
Molecular FormulaC19H13ClN4O2
Molecular Weight364.79 g/mol
Exact Mass364.07
IUPAC Name2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide
SMILESO=C(NCc1ccccn1)c1cccn2c(=O)c3cc(Cl)ccc3nc12
InChIInChI=1S/C19H13ClN4O2/c20-12-6-7-16-15(10-12)19(26)24-9-3-5-14(17(24)23-16)18(25)22-11-13-4-1-2-8-21-13/h1-10H,11H2,(H,22,25)
InChIKeyPRCSADNUCXWNTH-UHFFFAOYSA-N
XLogP2.83
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(4-chlorophenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 4243646
2-chloro-N-(2,2-diethoxyethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 4250022
2-chloro-11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide
CID 3243133
2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 4250016
3-chloro-N-[(5-methylfuran-2-yl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 3312032
12-oxo-N-(thiophen-2-ylmethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
CID 5092910
6-(azepane-1-carbonyl)-2-chloropyrido[2,1-b]quinazolin-11-one
CID 3525348
N-[(3-bromophenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 46857821
6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
CID 30132214
3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide
CID 5018182
3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46367467
N-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 46857811

Frequently Asked Questions

What is the IUPAC name of 2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of 2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide (CID 3590750) is 2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for 2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for 2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide is O=C(NCc1ccccn1)c1cccn2c(=O)c3cc(Cl)ccc3nc12.
What is the InChIKey of 2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide?
The InChIKey is PRCSADNUCXWNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2/c20-12-6-7-16-15(10-12)19(26)24-9-3-5-14(17(24)23-16)18(25)22-11-13-4-1-2-8-21-13/h1-10H,11H2,(H,22,25).
What are the key properties of 2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide?
2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide has a molecular weight of 364.79 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 3590750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).