6,8,8,9-tetramethyl-3-(2-methylbenzoyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one

C24H25NO3 — CID 122714350

IUPAC6,8,8,9-tetramethyl-3-(2-methylbenzoyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one
SMILESCc1ccccc1C(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)CC3C
InChIInChI=1S/C24H25NO3/c1-14-8-6-7-9-17(14)22(26)19-11-16-10-18-15(2)13-24(3,4)25(5)20(18)12-21(16)28-23(19)27/h6-12,15H,13H2,1-5H3
InChIKeyYKWWDZPPADGDKR-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.05
Rot. Bonds2

About 6,8,8,9-tetramethyl-3-(2-methylbenzoyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one

6,8,8,9-tetramethyl-3-(2-methylbenzoyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one (PubChem CID 122714350) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 6,8,8,9-tetramethyl-3-(2-methylbenzoyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one.

Molecular Properties

Compound Name6,8,8,9-tetramethyl-3-(2-methylbenzoyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one
PubChem CID122714350
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name6,8,8,9-tetramethyl-3-(2-methylbenzoyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one
SMILESCc1ccccc1C(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)CC3C
InChIInChI=1S/C24H25NO3/c1-14-8-6-7-9-17(14)22(26)19-11-16-10-18-15(2)13-24(3,4)25(5)20(18)12-21(16)28-23(19)27/h6-12,15H,13H2,1-5H3
InChIKeyYKWWDZPPADGDKR-UHFFFAOYSA-N
XLogP5.05
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,8,8,9-tetramethyl-3-(thiophene-2-carbonyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one
CID 122714407
4-[(6S)-3-ethoxycarbonyl-6,8,8-trimethyl-2-oxo-6,7-dihydropyrano[3,2-g]quinolin-9-yl]butanoic acid
CID 98053154
N-[(Z)-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 133170558
4-[3-(1,3-benzoxazol-2-yl)-6,8,8-trimethyl-2-oxo-6,7-dihydropyrano[3,2-g]quinolin-9-yl]butanoic acid
CID 135150440
2-chloro-N-[(E)-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 133170490
1,2,2,4,6-pentamethyl-3,4-dihydroquinoline
CID 14387761
4-[6,8,8-trimethyl-3-(2-methylpyridin-1-ium-4-yl)-2-oxo-6,7-dihydropyrano[3,2-g]quinolin-9-yl]butanoic acid
CID 164531704
4-(6,8,8-trimethyl-2-oxo-3-pyridin-1-ium-4-yl-6,7-dihydropyrano[3,2-g]quinolin-9-yl)butanoic acid
CID 142382159
N-[(Z)-[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-2-pyrrol-1-ylbenzamide
CID 99885692
2-chloro-N-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50859089
N-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 133170340
1-[(E)-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-3-phenylurea
CID 99885758

Frequently Asked Questions

What is the IUPAC name of 6,8,8,9-tetramethyl-3-(2-methylbenzoyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one?
The IUPAC name of 6,8,8,9-tetramethyl-3-(2-methylbenzoyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one (CID 122714350) is 6,8,8,9-tetramethyl-3-(2-methylbenzoyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one.
What is the SMILES notation for 6,8,8,9-tetramethyl-3-(2-methylbenzoyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one?
The canonical SMILES for 6,8,8,9-tetramethyl-3-(2-methylbenzoyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one is Cc1ccccc1C(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)CC3C.
What is the InChIKey of 6,8,8,9-tetramethyl-3-(2-methylbenzoyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one?
The InChIKey is YKWWDZPPADGDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-14-8-6-7-9-17(14)22(26)19-11-16-10-18-15(2)13-24(3,4)25(5)20(18)12-21(16)28-23(19)27/h6-12,15H,13H2,1-5H3.
What are the key properties of 6,8,8,9-tetramethyl-3-(2-methylbenzoyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one?
6,8,8,9-tetramethyl-3-(2-methylbenzoyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one has a molecular weight of 375.47 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,8,9-tetramethyl-3-(2-methylbenzoyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one is sourced from PubChem (CID 122714350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).