4-phenyl-N-(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-8-yl)benzamide

C25H21N3O — CID 142094964

IUPAC4-phenyl-N-(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-8-yl)benzamide
SMILESO=C(Nc1ccc2nc3c(cc2c1)CNCC3)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H21N3O/c29-25(19-8-6-18(7-9-19)17-4-2-1-3-5-17)27-22-10-11-23-20(15-22)14-21-16-26-13-12-24(21)28-23/h1-11,14-15,26H,12-13,16H2,(H,27,29)
InChIKeyALCRHWSACSAXEP-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.80
Rot. Bonds3

About 4-phenyl-N-(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-8-yl)benzamide

4-phenyl-N-(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-8-yl)benzamide (PubChem CID 142094964) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-phenyl-N-(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-8-yl)benzamide.

Molecular Properties

Compound Name4-phenyl-N-(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-8-yl)benzamide
PubChem CID142094964
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name4-phenyl-N-(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-8-yl)benzamide
SMILESO=C(Nc1ccc2nc3c(cc2c1)CNCC3)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H21N3O/c29-25(19-8-6-18(7-9-19)17-4-2-1-3-5-17)27-22-10-11-23-20(15-22)14-21-16-26-13-12-24(21)28-23/h1-11,14-15,26H,12-13,16H2,(H,27,29)
InChIKeyALCRHWSACSAXEP-UHFFFAOYSA-N
XLogP4.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide
CID 22340484
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
4-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 44536182
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
(2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamic acid
CID 129050639
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
N-(9H-carbazol-3-yl)-4-phenylbenzamide
CID 43917247
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
2-benzamido-N-(4-phenylphenyl)benzamide
CID 5224038
2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid
CID 28668403

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-8-yl)benzamide?
The IUPAC name of 4-phenyl-N-(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-8-yl)benzamide (CID 142094964) is 4-phenyl-N-(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-8-yl)benzamide.
What is the SMILES notation for 4-phenyl-N-(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-8-yl)benzamide?
The canonical SMILES for 4-phenyl-N-(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-8-yl)benzamide is O=C(Nc1ccc2nc3c(cc2c1)CNCC3)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-8-yl)benzamide?
The InChIKey is ALCRHWSACSAXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c29-25(19-8-6-18(7-9-19)17-4-2-1-3-5-17)27-22-10-11-23-20(15-22)14-21-16-26-13-12-24(21)28-23/h1-11,14-15,26H,12-13,16H2,(H,27,29).
What are the key properties of 4-phenyl-N-(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-8-yl)benzamide?
4-phenyl-N-(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-8-yl)benzamide has a molecular weight of 379.46 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-8-yl)benzamide is sourced from PubChem (CID 142094964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).