6,7,8,9-tetrahydropyrano[2,3-g]quinolin-2-one

C12H11NO2 — CID 166929497

IUPAC6,7,8,9-tetrahydropyrano[2,3-g]quinolin-2-one
SMILESO=c1ccc2cc3c(cc2o1)CCCN3
InChIInChI=1S/C12H11NO2/c14-12-4-3-9-6-10-8(2-1-5-13-10)7-11(9)15-12/h3-4,6-7,13H,1-2,5H2
InChIKeyCXJZUTYKDVGSSQ-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.15
Rot. Bonds

About 6,7,8,9-tetrahydropyrano[2,3-g]quinolin-2-one

6,7,8,9-tetrahydropyrano[2,3-g]quinolin-2-one (PubChem CID 166929497) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 6,7,8,9-tetrahydropyrano[2,3-g]quinolin-2-one.

Molecular Properties

Compound Name6,7,8,9-tetrahydropyrano[2,3-g]quinolin-2-one
PubChem CID166929497
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name6,7,8,9-tetrahydropyrano[2,3-g]quinolin-2-one
SMILESO=c1ccc2cc3c(cc2o1)CCCN3
InChIInChI=1S/C12H11NO2/c14-12-4-3-9-6-10-8(2-1-5-13-10)7-11(9)15-12/h3-4,6-7,13H,1-2,5H2
InChIKeyCXJZUTYKDVGSSQ-UHFFFAOYSA-N
XLogP2.15
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-hydroxyethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one
CID 11680341
1,3,5,6,7,8-hexahydroimidazo[4,5-g]quinolin-2-one
CID 67909917
3,4,6,7,8,9-hexahydro-1H-pyrido[3,2-g]quinolin-2-one
CID 2749367
sodium;6,7-dimethoxychromen-2-one;chloride
CID 174522152
7-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline
CID 81230530
6,7-dimethoxychromen-2-one
CID 159563577
6,7-diethylchromen-2-one
CID 90255356
chromen-2-one;piperidine
CID 162207704
ethane;6-methyl-1,2,3,4-tetrahydroquinoline
CID 144598135
6-methyl-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole
CID 43436668
(2-oxochromen-7-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 9192899
2-phenylfuro[3,2-g]chromen-7-one
CID 102313013

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydropyrano[2,3-g]quinolin-2-one?
The IUPAC name of 6,7,8,9-tetrahydropyrano[2,3-g]quinolin-2-one (CID 166929497) is 6,7,8,9-tetrahydropyrano[2,3-g]quinolin-2-one.
What is the SMILES notation for 6,7,8,9-tetrahydropyrano[2,3-g]quinolin-2-one?
The canonical SMILES for 6,7,8,9-tetrahydropyrano[2,3-g]quinolin-2-one is O=c1ccc2cc3c(cc2o1)CCCN3.
What is the InChIKey of 6,7,8,9-tetrahydropyrano[2,3-g]quinolin-2-one?
The InChIKey is CXJZUTYKDVGSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-12-4-3-9-6-10-8(2-1-5-13-10)7-11(9)15-12/h3-4,6-7,13H,1-2,5H2.
What are the key properties of 6,7,8,9-tetrahydropyrano[2,3-g]quinolin-2-one?
6,7,8,9-tetrahydropyrano[2,3-g]quinolin-2-one has a molecular weight of 201.22 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydropyrano[2,3-g]quinolin-2-one is sourced from PubChem (CID 166929497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).