1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide

C19H17ClN4O3 — CID 5094742

IUPAC1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cccn3c(=O)c4cc(Cl)ccc4nc23)CC1
InChIInChI=1S/C19H17ClN4O3/c20-12-3-4-15-14(10-12)19(27)24-7-1-2-13(17(24)22-15)18(26)23-8-5-11(6-9-23)16(21)25/h1-4,7,10-11H,5-6,8-9H2,(H2,21,25)
InChIKeyQFVBXKDURQMFON-UHFFFAOYSA-N
MW384.82 g/mol
LogP1.84
Rot. Bonds2

About 1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide

1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide (PubChem CID 5094742) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide
PubChem CID5094742
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cccn3c(=O)c4cc(Cl)ccc4nc23)CC1
InChIInChI=1S/C19H17ClN4O3/c20-12-3-4-15-14(10-12)19(27)24-7-1-2-13(17(24)22-15)18(26)23-8-5-11(6-9-23)16(21)25/h1-4,7,10-11H,5-6,8-9H2,(H2,21,25)
InChIKeyQFVBXKDURQMFON-UHFFFAOYSA-N
XLogP1.84
TPSA97.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 51.84
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

6-(azepane-1-carbonyl)-2-chloropyrido[2,1-b]quinazolin-11-one
CID 3525348
2-chloro-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
CID 4642113
2-chloro-N-[(4-chlorophenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 4243646
1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
CID 2094903
6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one
CID 5083314
6-(4-phenylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one
CID 3304664
2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide
CID 3590750
2-chloro-11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide
CID 3243133
1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
CID 55966834
1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55642498
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 4250016

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide (CID 5094742) is 1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cccn3c(=O)c4cc(Cl)ccc4nc23)CC1.
What is the InChIKey of 1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide?
The InChIKey is QFVBXKDURQMFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c20-12-3-4-15-14(10-12)19(27)24-7-1-2-13(17(24)22-15)18(26)23-8-5-11(6-9-23)16(21)25/h1-4,7,10-11H,5-6,8-9H2,(H2,21,25).
What are the key properties of 1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide?
1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 5094742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).