8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide

C30H21Cl2N3O2 — CID 154942201

IUPAC8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1cnc2c(-c3cc(Cl)cc(Cl)c3)nccc2c1-c1ccccc1
InChIInChI=1S/C30H21Cl2N3O2/c31-20-14-19(15-21(32)16-20)28-29-23(10-12-33-28)27(18-6-2-1-3-7-18)24(17-34-29)30(36)35-25-11-13-37-26-9-5-4-8-22(25)26/h1-10,12,14-17,25H,11,13H2,(H,35,36)/t25-/m0/s1
InChIKeyASSPGKBDZBRMJV-VWLOTQADSA-N
MW526.42 g/mol
LogP7.52
Rot. Bonds4

About 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide

8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide (PubChem CID 154942201) has the molecular formula C30H21Cl2N3O2 and a molecular weight of 526.42 g/mol. Its IUPAC name is 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide
PubChem CID154942201
Molecular FormulaC30H21Cl2N3O2
Molecular Weight526.42 g/mol
Exact Mass525.10
IUPAC Name8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1cnc2c(-c3cc(Cl)cc(Cl)c3)nccc2c1-c1ccccc1
InChIInChI=1S/C30H21Cl2N3O2/c31-20-14-19(15-21(32)16-20)28-29-23(10-12-33-28)27(18-6-2-1-3-7-18)24(17-34-29)30(36)35-25-11-13-37-26-9-5-4-8-22(25)26/h1-10,12,14-17,25H,11,13H2,(H,35,36)/t25-/m0/s1
InChIKeyASSPGKBDZBRMJV-VWLOTQADSA-N
XLogP7.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.42
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide
CID 154942289
N-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
CID 154942170
1-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylamino)isoquinoline-6-carboxamide
CID 152677178
4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide
CID 168863146
8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
CID 154951312
7-chloro-8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,5-naphthyridine-3-carboxamide
CID 146501502
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide
CID 134502145
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-yl-1,5-naphthyridine-3-carboxamide
CID 137372253
4-(azetidin-1-yl)-8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
CID 134511570
8-(3,5-dichlorophenyl)-N-[(5S)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
CID 163512853
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-8-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide
CID 154942273
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide?
The IUPAC name of 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide (CID 154942201) is 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide is O=C(N[C@H]1CCOc2ccccc21)c1cnc2c(-c3cc(Cl)cc(Cl)c3)nccc2c1-c1ccccc1.
What is the InChIKey of 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide?
The InChIKey is ASSPGKBDZBRMJV-VWLOTQADSA-N. The full InChI is InChI=1S/C30H21Cl2N3O2/c31-20-14-19(15-21(32)16-20)28-29-23(10-12-33-28)27(18-6-2-1-3-7-18)24(17-34-29)30(36)35-25-11-13-37-26-9-5-4-8-22(25)26/h1-10,12,14-17,25H,11,13H2,(H,35,36)/t25-/m0/s1.
What are the key properties of 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide?
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide has a molecular weight of 526.42 g/mol, XLogP of 7.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 154942201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).