1-benzyl-4-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-2-one

C27H25NO — CID 101473083

IUPAC1-benzyl-4-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCc1ccc2ccccc2c1-c1cc(=O)n(Cc2ccccc2)c2c1CCCC2
InChIInChI=1S/C27H25NO/c1-19-15-16-21-11-5-6-12-22(21)27(19)24-17-26(29)28(18-20-9-3-2-4-10-20)25-14-8-7-13-23(24)25/h2-6,9-12,15-17H,7-8,13-14,18H2,1H3
InChIKeyGWAZVGAIQYZCLE-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.90
Rot. Bonds3

About 1-benzyl-4-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-2-one

1-benzyl-4-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 101473083) has the molecular formula C27H25NO and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-benzyl-4-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID101473083
Molecular FormulaC27H25NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name1-benzyl-4-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCc1ccc2ccccc2c1-c1cc(=O)n(Cc2ccccc2)c2c1CCCC2
InChIInChI=1S/C27H25NO/c1-19-15-16-21-11-5-6-12-22(21)27(19)24-17-26(29)28(18-20-9-3-2-4-10-20)25-14-8-7-13-23(24)25/h2-6,9-12,15-17H,7-8,13-14,18H2,1H3
InChIKeyGWAZVGAIQYZCLE-UHFFFAOYSA-N
XLogP5.90
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(2-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1-yl)acetamide
CID 5008287
1-benzyl-2-methyl-3-(4-nitrophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrole
CID 101450310
20-benzyl-16,21-dimethyl-16,18,20-triazatricyclo[11.7.1.014,19]henicosa-1(21),13,18-triene-15,17-dione
CID 101128565
9-[(4-chlorophenyl)methyl]-8-methyl-1,2,3,4-tetrahydrocarbazole
CID 56623019
(2E)-1-methylidene-4-(2-methylnaphthalen-1-yl)-2-(2-phenylethylidene)naphthalene
CID 58673779
1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylic acid
CID 67519958
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
11-ethyl-7,8,9,10-tetrahydrobenzo[a]carbazole
CID 130355396
2-methyl-1-(2-phenylphenyl)naphthalene
CID 102027516
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
9-[(3-carboxyphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
CID 10405518
1-benzyl-3-ethyl-4,5,6,7-tetrahydroindole
CID 15438946

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-benzyl-4-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-2-one (CID 101473083) is 1-benzyl-4-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-4-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-benzyl-4-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-2-one is Cc1ccc2ccccc2c1-c1cc(=O)n(Cc2ccccc2)c2c1CCCC2.
What is the InChIKey of 1-benzyl-4-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is GWAZVGAIQYZCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO/c1-19-15-16-21-11-5-6-12-22(21)27(19)24-17-26(29)28(18-20-9-3-2-4-10-20)25-14-8-7-13-23(24)25/h2-6,9-12,15-17H,7-8,13-14,18H2,1H3.
What are the key properties of 1-benzyl-4-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-2-one?
1-benzyl-4-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 379.50 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 101473083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).