1,6-bis(2-fluorophenyl)-7-methyl-4-phenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione

C27H20F2N2O2 — CID 155931999

IUPAC1,6-bis(2-fluorophenyl)-7-methyl-4-phenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione
SMILESCc1cc2c(c(=O)n1-c1ccccc1F)C(c1ccccc1)CC(=O)N2c1ccccc1F
InChIInChI=1S/C27H20F2N2O2/c1-17-15-24-26(27(33)30(17)22-13-7-5-11-20(22)28)19(18-9-3-2-4-10-18)16-25(32)31(24)23-14-8-6-12-21(23)29/h2-15,19H,16H2,1H3
InChIKeyCRXTWDRPVJDQJY-UHFFFAOYSA-N
MW442.47 g/mol
LogP5.62
Rot. Bonds3

About 1,6-bis(2-fluorophenyl)-7-methyl-4-phenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione

1,6-bis(2-fluorophenyl)-7-methyl-4-phenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione (PubChem CID 155931999) has the molecular formula C27H20F2N2O2 and a molecular weight of 442.47 g/mol. Its IUPAC name is 1,6-bis(2-fluorophenyl)-7-methyl-4-phenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione.

Molecular Properties

Compound Name1,6-bis(2-fluorophenyl)-7-methyl-4-phenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione
PubChem CID155931999
Molecular FormulaC27H20F2N2O2
Molecular Weight442.47 g/mol
Exact Mass442.15
IUPAC Name1,6-bis(2-fluorophenyl)-7-methyl-4-phenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione
SMILESCc1cc2c(c(=O)n1-c1ccccc1F)C(c1ccccc1)CC(=O)N2c1ccccc1F
InChIInChI=1S/C27H20F2N2O2/c1-17-15-24-26(27(33)30(17)22-13-7-5-11-20(22)28)19(18-9-3-2-4-10-18)16-25(32)31(24)23-14-8-6-12-21(23)29/h2-15,19H,16H2,1H3
InChIKeyCRXTWDRPVJDQJY-UHFFFAOYSA-N
XLogP5.62
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-4-phenyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 4043316
N-ethyl-N-(2-fluorophenyl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
CID 22334699
4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)[4-(dimethylamino)phenyl]methyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
CID 5130911
2,6-Dimethyl-N(3),N(5),4-triphenyl-1,4-dihydro-3,5-pyridinedicarboxamide
CID 358533
1,4-Diphenyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione
CID 657502
1-(4-Fluorophenyl)-7,7-dimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 3517975
1-(4-fluorophenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 5153399
N-(4-fluorophenyl)-2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 16028162
2-methyl-N-(2-methylphenyl)-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 155516295
2-methyl-N-(2-methylphenyl)-5-oxo-4-(2-phenylethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 155560731
2,6-Piperidinedione, 1,4-diphenyl-
CID 2812798
4-(4-(Dimethylamino)phenyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide
CID 366928

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(2-fluorophenyl)-7-methyl-4-phenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione?
The IUPAC name of 1,6-bis(2-fluorophenyl)-7-methyl-4-phenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione (CID 155931999) is 1,6-bis(2-fluorophenyl)-7-methyl-4-phenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione.
What is the SMILES notation for 1,6-bis(2-fluorophenyl)-7-methyl-4-phenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione?
The canonical SMILES for 1,6-bis(2-fluorophenyl)-7-methyl-4-phenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione is Cc1cc2c(c(=O)n1-c1ccccc1F)C(c1ccccc1)CC(=O)N2c1ccccc1F.
What is the InChIKey of 1,6-bis(2-fluorophenyl)-7-methyl-4-phenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione?
The InChIKey is CRXTWDRPVJDQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N2O2/c1-17-15-24-26(27(33)30(17)22-13-7-5-11-20(22)28)19(18-9-3-2-4-10-18)16-25(32)31(24)23-14-8-6-12-21(23)29/h2-15,19H,16H2,1H3.
What are the key properties of 1,6-bis(2-fluorophenyl)-7-methyl-4-phenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione?
1,6-bis(2-fluorophenyl)-7-methyl-4-phenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione has a molecular weight of 442.47 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(2-fluorophenyl)-7-methyl-4-phenyl-3,4-dihydro-1,6-naphthyridine-2,5-dione is sourced from PubChem (CID 155931999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).