3-chloro-8-(morpholine-4-carbonyl)pyrido[2,1-b]quinazolin-11-one

C17H14ClN3O3 — CID 5215714

IUPAC3-chloro-8-(morpholine-4-carbonyl)pyrido[2,1-b]quinazolin-11-one
SMILESO=C(c1ccc2nc3cc(Cl)ccc3c(=O)n2c1)N1CCOCC1
InChIInChI=1S/C17H14ClN3O3/c18-12-2-3-13-14(9-12)19-15-4-1-11(10-21(15)17(13)23)16(22)20-5-7-24-8-6-20/h1-4,9-10H,5-8H2
InChIKeyAZXFOXFMFDGUSR-UHFFFAOYSA-N
MW343.77 g/mol
LogP1.97
Rot. Bonds1

About 3-chloro-8-(morpholine-4-carbonyl)pyrido[2,1-b]quinazolin-11-one

3-chloro-8-(morpholine-4-carbonyl)pyrido[2,1-b]quinazolin-11-one (PubChem CID 5215714) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 3-chloro-8-(morpholine-4-carbonyl)pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name3-chloro-8-(morpholine-4-carbonyl)pyrido[2,1-b]quinazolin-11-one
PubChem CID5215714
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name3-chloro-8-(morpholine-4-carbonyl)pyrido[2,1-b]quinazolin-11-one
SMILESO=C(c1ccc2nc3cc(Cl)ccc3c(=O)n2c1)N1CCOCC1
InChIInChI=1S/C17H14ClN3O3/c18-12-2-3-13-14(9-12)19-15-4-1-11(10-21(15)17(13)23)16(22)20-5-7-24-8-6-20/h1-4,9-10H,5-8H2
InChIKeyAZXFOXFMFDGUSR-UHFFFAOYSA-N
XLogP1.97
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 51.97
H-Bond Donors ≤ 50
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-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
CID 3617574
3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
CID 5130466
[3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone
CID 134794472
3-chloro-11-oxo-N-(2-phenylethyl)pyrido[2,1-b]quinazoline-8-carboxamide
CID 3625637
3-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 40508071
2-[(4-chlorophenyl)methylsulfanyl]-7-(morpholine-4-carbonyl)-3-prop-2-enylquinazolin-4-one
CID 3655287
[7-chloro-4-(morpholine-4-carbonyl)quinolin-2-yl] trifluoromethanesulfonate
CID 171492283
7-chloro-3-(3-methylphenyl)-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylquinazolin-4-one
CID 42972283
[8-chloro-2,3-bis(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone
CID 24743219
(4-chlorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267909
[4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone
CID 167445629
4-chloro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide
CID 30836918

Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-(morpholine-4-carbonyl)pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 3-chloro-8-(morpholine-4-carbonyl)pyrido[2,1-b]quinazolin-11-one (CID 5215714) is 3-chloro-8-(morpholine-4-carbonyl)pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 3-chloro-8-(morpholine-4-carbonyl)pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 3-chloro-8-(morpholine-4-carbonyl)pyrido[2,1-b]quinazolin-11-one is O=C(c1ccc2nc3cc(Cl)ccc3c(=O)n2c1)N1CCOCC1.
What is the InChIKey of 3-chloro-8-(morpholine-4-carbonyl)pyrido[2,1-b]quinazolin-11-one?
The InChIKey is AZXFOXFMFDGUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c18-12-2-3-13-14(9-12)19-15-4-1-11(10-21(15)17(13)23)16(22)20-5-7-24-8-6-20/h1-4,9-10H,5-8H2.
What are the key properties of 3-chloro-8-(morpholine-4-carbonyl)pyrido[2,1-b]quinazolin-11-one?
3-chloro-8-(morpholine-4-carbonyl)pyrido[2,1-b]quinazolin-11-one has a molecular weight of 343.77 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-(morpholine-4-carbonyl)pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 5215714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).