3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide

C16H14ClN3O2 — CID 5018182

IUPAC3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide
SMILESCC(C)NC(=O)c1cccn2c(=O)c3ccc(Cl)cc3nc12
InChIInChI=1S/C16H14ClN3O2/c1-9(2)18-15(21)12-4-3-7-20-14(12)19-13-8-10(17)5-6-11(13)16(20)22/h3-9H,1-2H3,(H,18,21)
InChIKeyGJCLXRMAVSPILR-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.64
Rot. Bonds2

About 3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide

3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide (PubChem CID 5018182) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound Name3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide
PubChem CID5018182
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide
SMILESCC(C)NC(=O)c1cccn2c(=O)c3ccc(Cl)cc3nc12
InChIInChI=1S/C16H14ClN3O2/c1-9(2)18-15(21)12-4-3-7-20-14(12)19-13-8-10(17)5-6-11(13)16(20)22/h3-9H,1-2H3,(H,18,21)
InChIKeyGJCLXRMAVSPILR-UHFFFAOYSA-N
XLogP2.64
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(5-methylfuran-2-yl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 3312032
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
6-(azepane-1-carbonyl)-2-chloropyrido[2,1-b]quinazolin-11-one
CID 3525348
N-(3-methylbutyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
CID 3508057
N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide
CID 1055784
2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide
CID 3590750
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 4573160
2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 4250016
2-chloro-11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide
CID 3243133
6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
CID 3454528
methyl 2-[7-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 2574962

Frequently Asked Questions

What is the IUPAC name of 3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of 3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide (CID 5018182) is 3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for 3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for 3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide is CC(C)NC(=O)c1cccn2c(=O)c3ccc(Cl)cc3nc12.
What is the InChIKey of 3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide?
The InChIKey is GJCLXRMAVSPILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-9(2)18-15(21)12-4-3-7-20-14(12)19-13-8-10(17)5-6-11(13)16(20)22/h3-9H,1-2H3,(H,18,21).
What are the key properties of 3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide?
3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide has a molecular weight of 315.76 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 5018182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).