5-chloro-9-methyl-3,4-dihydropyrano[4,3-c]quinolin-1-one

C13H10ClNO2 — CID 13445605

IUPAC5-chloro-9-methyl-3,4-dihydropyrano[4,3-c]quinolin-1-one
SMILESCc1ccc2nc(Cl)c3c(c2c1)C(=O)OCC3
InChIInChI=1S/C13H10ClNO2/c1-7-2-3-10-9(6-7)11-8(12(14)15-10)4-5-17-13(11)16/h2-3,6H,4-5H2,1H3
InChIKeyLOLCHUCWFMPAFB-UHFFFAOYSA-N
MW247.68 g/mol
LogP2.91
Rot. Bonds

About 5-chloro-9-methyl-3,4-dihydropyrano[4,3-c]quinolin-1-one

5-chloro-9-methyl-3,4-dihydropyrano[4,3-c]quinolin-1-one (PubChem CID 13445605) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 5-chloro-9-methyl-3,4-dihydropyrano[4,3-c]quinolin-1-one.

Molecular Properties

Compound Name5-chloro-9-methyl-3,4-dihydropyrano[4,3-c]quinolin-1-one
PubChem CID13445605
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name5-chloro-9-methyl-3,4-dihydropyrano[4,3-c]quinolin-1-one
SMILESCc1ccc2nc(Cl)c3c(c2c1)C(=O)OCC3
InChIInChI=1S/C13H10ClNO2/c1-7-2-3-10-9(6-7)11-8(12(14)15-10)4-5-17-13(11)16/h2-3,6H,4-5H2,1H3
InChIKeyLOLCHUCWFMPAFB-UHFFFAOYSA-N
XLogP2.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-(2,6-difluorophenyl)-6-methyl-3,1-benzoxazin-4-one
CID 21262472
4-chloro-1H-furo[3,4-c]quinolin-3-one
CID 57030353
6-chloro-4-(2-chlorophenyl)-2,3-dihydrofuro[2,3-b]quinoline
CID 51031204
7-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one
CID 118482542
4-chloro-9,11-dimethyl-15-oxa-8,12-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaen-16-one
CID 11833456
3,4-dichloro-2,6-dimethylquinoline
CID 54483448
2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 122224204
2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643
3-chloro-1,7-dimethylquinoxalin-2-one
CID 13437029
4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline
CID 63085175
ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate
CID 21050828
6-chloro-3-methylindeno[2,1-c]quinolin-7-one
CID 19356118

Frequently Asked Questions

What is the IUPAC name of 5-chloro-9-methyl-3,4-dihydropyrano[4,3-c]quinolin-1-one?
The IUPAC name of 5-chloro-9-methyl-3,4-dihydropyrano[4,3-c]quinolin-1-one (CID 13445605) is 5-chloro-9-methyl-3,4-dihydropyrano[4,3-c]quinolin-1-one.
What is the SMILES notation for 5-chloro-9-methyl-3,4-dihydropyrano[4,3-c]quinolin-1-one?
The canonical SMILES for 5-chloro-9-methyl-3,4-dihydropyrano[4,3-c]quinolin-1-one is Cc1ccc2nc(Cl)c3c(c2c1)C(=O)OCC3.
What is the InChIKey of 5-chloro-9-methyl-3,4-dihydropyrano[4,3-c]quinolin-1-one?
The InChIKey is LOLCHUCWFMPAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c1-7-2-3-10-9(6-7)11-8(12(14)15-10)4-5-17-13(11)16/h2-3,6H,4-5H2,1H3.
What are the key properties of 5-chloro-9-methyl-3,4-dihydropyrano[4,3-c]quinolin-1-one?
5-chloro-9-methyl-3,4-dihydropyrano[4,3-c]quinolin-1-one has a molecular weight of 247.68 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-9-methyl-3,4-dihydropyrano[4,3-c]quinolin-1-one is sourced from PubChem (CID 13445605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).