2-chloro-8-(2,3-dihydroindol-1-ylsulfonyl)pyrido[1,2-a]quinazolin-6-one

C20H14ClN3O3S — CID 5302229

IUPAC2-chloro-8-(2,3-dihydroindol-1-ylsulfonyl)pyrido[1,2-a]quinazolin-6-one
SMILESO=c1nc2ccc(Cl)cn2c2ccc(S(=O)(=O)N3CCc4ccccc43)cc12
InChIInChI=1S/C20H14ClN3O3S/c21-14-5-8-19-22-20(25)16-11-15(6-7-18(16)23(19)12-14)28(26,27)24-10-9-13-3-1-2-4-17(13)24/h1-8,11-12H,9-10H2
InChIKeyJHOZXRWQAQDXBF-UHFFFAOYSA-N
MW411.87 g/mol
LogP3.25
Rot. Bonds2

About 2-chloro-8-(2,3-dihydroindol-1-ylsulfonyl)pyrido[1,2-a]quinazolin-6-one

2-chloro-8-(2,3-dihydroindol-1-ylsulfonyl)pyrido[1,2-a]quinazolin-6-one (PubChem CID 5302229) has the molecular formula C20H14ClN3O3S and a molecular weight of 411.87 g/mol. Its IUPAC name is 2-chloro-8-(2,3-dihydroindol-1-ylsulfonyl)pyrido[1,2-a]quinazolin-6-one.

Molecular Properties

Compound Name2-chloro-8-(2,3-dihydroindol-1-ylsulfonyl)pyrido[1,2-a]quinazolin-6-one
PubChem CID5302229
Molecular FormulaC20H14ClN3O3S
Molecular Weight411.87 g/mol
Exact Mass411.04
IUPAC Name2-chloro-8-(2,3-dihydroindol-1-ylsulfonyl)pyrido[1,2-a]quinazolin-6-one
SMILESO=c1nc2ccc(Cl)cn2c2ccc(S(=O)(=O)N3CCc4ccccc43)cc12
InChIInChI=1S/C20H14ClN3O3S/c21-14-5-8-19-22-20(25)16-11-15(6-7-18(16)23(19)12-14)28(26,27)24-10-9-13-3-1-2-4-17(13)24/h1-8,11-12H,9-10H2
InChIKeyJHOZXRWQAQDXBF-UHFFFAOYSA-N
XLogP3.25
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole
CID 54895623
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
3-bromo-4-fluorobenzenesulfonyl chloride;1-(3-bromo-4-fluorophenyl)sulfonyl-2,3-dihydroindole
CID 158330118
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 974280
6-(2,3-dihydroindol-1-ylsulfonyl)-3-propan-2-yl-1,3-benzothiazol-2-one
CID 100731124
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
7-chloro-2-(2,3-dihydroindol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 18087338
6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3519718
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
8-(2,3-dihydroindol-1-ylsulfonyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
CID 135840554
2,4-dichloro-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]benzamide
CID 1010318

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(2,3-dihydroindol-1-ylsulfonyl)pyrido[1,2-a]quinazolin-6-one?
The IUPAC name of 2-chloro-8-(2,3-dihydroindol-1-ylsulfonyl)pyrido[1,2-a]quinazolin-6-one (CID 5302229) is 2-chloro-8-(2,3-dihydroindol-1-ylsulfonyl)pyrido[1,2-a]quinazolin-6-one.
What is the SMILES notation for 2-chloro-8-(2,3-dihydroindol-1-ylsulfonyl)pyrido[1,2-a]quinazolin-6-one?
The canonical SMILES for 2-chloro-8-(2,3-dihydroindol-1-ylsulfonyl)pyrido[1,2-a]quinazolin-6-one is O=c1nc2ccc(Cl)cn2c2ccc(S(=O)(=O)N3CCc4ccccc43)cc12.
What is the InChIKey of 2-chloro-8-(2,3-dihydroindol-1-ylsulfonyl)pyrido[1,2-a]quinazolin-6-one?
The InChIKey is JHOZXRWQAQDXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3S/c21-14-5-8-19-22-20(25)16-11-15(6-7-18(16)23(19)12-14)28(26,27)24-10-9-13-3-1-2-4-17(13)24/h1-8,11-12H,9-10H2.
What are the key properties of 2-chloro-8-(2,3-dihydroindol-1-ylsulfonyl)pyrido[1,2-a]quinazolin-6-one?
2-chloro-8-(2,3-dihydroindol-1-ylsulfonyl)pyrido[1,2-a]quinazolin-6-one has a molecular weight of 411.87 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-(2,3-dihydroindol-1-ylsulfonyl)pyrido[1,2-a]quinazolin-6-one is sourced from PubChem (CID 5302229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).