4-(4-bromophenyl)-7-methyl-1,6-diphenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione

C27H21BrN2O2 — CID 155931894

IUPAC4-(4-bromophenyl)-7-methyl-1,6-diphenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione
SMILESCc1cc2c(c(=O)n1-c1ccccc1)C(c1ccc(Br)cc1)CC(=O)N2c1ccccc1
InChIInChI=1S/C27H21BrN2O2/c1-18-16-24-26(27(32)29(18)21-8-4-2-5-9-21)23(19-12-14-20(28)15-13-19)17-25(31)30(24)22-10-6-3-7-11-22/h2-16,23H,17H2,1H3
InChIKeyXHBKXQQVCMVJDD-UHFFFAOYSA-N
MW485.38 g/mol
LogP6.11
Rot. Bonds3

About 4-(4-bromophenyl)-7-methyl-1,6-diphenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione

4-(4-bromophenyl)-7-methyl-1,6-diphenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione (PubChem CID 155931894) has the molecular formula C27H21BrN2O2 and a molecular weight of 485.38 g/mol. Its IUPAC name is 4-(4-bromophenyl)-7-methyl-1,6-diphenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione.

Molecular Properties

Compound Name4-(4-bromophenyl)-7-methyl-1,6-diphenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione
PubChem CID155931894
Molecular FormulaC27H21BrN2O2
Molecular Weight485.38 g/mol
Exact Mass484.08
IUPAC Name4-(4-bromophenyl)-7-methyl-1,6-diphenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione
SMILESCc1cc2c(c(=O)n1-c1ccccc1)C(c1ccc(Br)cc1)CC(=O)N2c1ccccc1
InChIInChI=1S/C27H21BrN2O2/c1-18-16-24-26(27(32)29(18)21-8-4-2-5-9-21)23(19-12-14-20(28)15-13-19)17-25(31)30(24)22-10-6-3-7-11-22/h2-16,23H,17H2,1H3
InChIKeyXHBKXQQVCMVJDD-UHFFFAOYSA-N
XLogP6.11
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.38
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Dimethyl-N(3),N(5),4-triphenyl-1,4-dihydro-3,5-pyridinedicarboxamide
CID 358533
4,4'-[(2-bromophenyl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
CID 2834113
4-[(4-Bromophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 2834112
4-(3-bromophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3142525
4-(4-bromophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3144726
4-[(3-Bromophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one;hydrochloride
CID 24746892
(3Z)-3-[(4-bromophenyl)methylidene]-1,5-diphenylpyrrol-2-one
CID 137648308
4-(3-bromophenyl)-N-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 2900220
4-(4-bromophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 2901326
4-(3-bromophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 3592759
9,9'-(1,4-Phenylene)bis(10-(4-bromophenyl)-3,3,6,6-tetramethyl-3,4,6,7-tetrahydroacridine-1,8(2h,5h,9h,10h)-dione)
CID 76312152
4-(2-bromophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 155528046

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-7-methyl-1,6-diphenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione?
The IUPAC name of 4-(4-bromophenyl)-7-methyl-1,6-diphenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione (CID 155931894) is 4-(4-bromophenyl)-7-methyl-1,6-diphenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione.
What is the SMILES notation for 4-(4-bromophenyl)-7-methyl-1,6-diphenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione?
The canonical SMILES for 4-(4-bromophenyl)-7-methyl-1,6-diphenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione is Cc1cc2c(c(=O)n1-c1ccccc1)C(c1ccc(Br)cc1)CC(=O)N2c1ccccc1.
What is the InChIKey of 4-(4-bromophenyl)-7-methyl-1,6-diphenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione?
The InChIKey is XHBKXQQVCMVJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrN2O2/c1-18-16-24-26(27(32)29(18)21-8-4-2-5-9-21)23(19-12-14-20(28)15-13-19)17-25(31)30(24)22-10-6-3-7-11-22/h2-16,23H,17H2,1H3.
What are the key properties of 4-(4-bromophenyl)-7-methyl-1,6-diphenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione?
4-(4-bromophenyl)-7-methyl-1,6-diphenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione has a molecular weight of 485.38 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-7-methyl-1,6-diphenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione is sourced from PubChem (CID 155931894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).