2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide

C19H20ClN4O3+ — CID 4250016

IUPAC2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
SMILESO=C(NCC[NH+]1CCOCC1)c1cccn2c(=O)c3cc(Cl)ccc3nc12
InChIInChI=1S/C19H19ClN4O3/c20-13-3-4-16-15(12-13)19(26)24-6-1-2-14(17(24)22-16)18(25)21-5-7-23-8-10-27-11-9-23/h1-4,6,12H,5,7-11H2,(H,21,25)/p+1
InChIKeyBXPKQUMRADELRW-UHFFFAOYSA-O
MW387.85 g/mol
LogP0.15
Rot. Bonds4

About 2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide

2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide (PubChem CID 4250016) has the molecular formula C19H20ClN4O3+ and a molecular weight of 387.85 g/mol. Its IUPAC name is 2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
PubChem CID4250016
Molecular FormulaC19H20ClN4O3+
Molecular Weight387.85 g/mol
Exact Mass387.12
IUPAC Name2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
SMILESO=C(NCC[NH+]1CCOCC1)c1cccn2c(=O)c3cc(Cl)ccc3nc12
InChIInChI=1S/C19H19ClN4O3/c20-13-3-4-16-15(12-13)19(26)24-6-1-2-14(17(24)22-16)18(25)21-5-7-23-8-10-27-11-9-23/h1-4,6,12H,5,7-11H2,(H,21,25)/p+1
InChIKeyBXPKQUMRADELRW-UHFFFAOYSA-O
XLogP0.15
TPSA77.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide with MolForge

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Related Compounds

2-chloro-N-[(4-chlorophenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 4243646
2-chloro-11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide
CID 3243133
2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide
CID 3590750
3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 6919317
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
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide
CID 2105530
2-chloro-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
CID 4642113
3-chloro-N-[(5-methylfuran-2-yl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 3312032
1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide
CID 5094742
3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide
CID 5018182
N-(3-methylbutyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
CID 3508057

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of 2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide (CID 4250016) is 2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for 2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide is O=C(NCC[NH+]1CCOCC1)c1cccn2c(=O)c3cc(Cl)ccc3nc12.
What is the InChIKey of 2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide?
The InChIKey is BXPKQUMRADELRW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19ClN4O3/c20-13-3-4-16-15(12-13)19(26)24-6-1-2-14(17(24)22-16)18(25)21-5-7-23-8-10-27-11-9-23/h1-4,6,12H,5,7-11H2,(H,21,25)/p+1.
What are the key properties of 2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide?
2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide has a molecular weight of 387.85 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 4250016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).