2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]-1,6-diphenyl-1,7-naphthyridin-4-one

C27H23N3O — CID 142837630

IUPAC2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]-1,6-diphenyl-1,7-naphthyridin-4-one
SMILESCC1C=CC(Nc2cc(=O)c3cc(-c4ccccc4)ncc3n2-c2ccccc2)=CC1
InChIInChI=1S/C27H23N3O/c1-19-12-14-21(15-13-19)29-27-17-26(31)23-16-24(20-8-4-2-5-9-20)28-18-25(23)30(27)22-10-6-3-7-11-22/h2-12,14-19,29H,13H2,1H3
InChIKeySQAWIBIQRBSSPJ-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.94
Rot. Bonds4

About 2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]-1,6-diphenyl-1,7-naphthyridin-4-one

2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]-1,6-diphenyl-1,7-naphthyridin-4-one (PubChem CID 142837630) has the molecular formula C27H23N3O and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]-1,6-diphenyl-1,7-naphthyridin-4-one.

Molecular Properties

Compound Name2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]-1,6-diphenyl-1,7-naphthyridin-4-one
PubChem CID142837630
Molecular FormulaC27H23N3O
Molecular Weight405.50 g/mol
Exact Mass405.18
IUPAC Name2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]-1,6-diphenyl-1,7-naphthyridin-4-one
SMILESCC1C=CC(Nc2cc(=O)c3cc(-c4ccccc4)ncc3n2-c2ccccc2)=CC1
InChIInChI=1S/C27H23N3O/c1-19-12-14-21(15-13-19)29-27-17-26(31)23-16-24(20-8-4-2-5-9-20)28-18-25(23)30(27)22-10-6-3-7-11-22/h2-12,14-19,29H,13H2,1H3
InChIKeySQAWIBIQRBSSPJ-UHFFFAOYSA-N
XLogP5.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]-1,6-diphenyl-1,7-naphthyridin-4-one with MolForge

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Related Compounds

N-(4-methylcyclohexa-1,5-dien-1-yl)aniline
CID 129261105
2-(cyclohexa-1,5-dien-1-ylamino)-5,7-dimethyl-1-phenyl-1,6-naphthyridin-4-one
CID 142225594
N-[[2-(cyclohexa-1,5-dien-1-ylamino)-4-oxo-1-phenyl-1,6-naphthyridin-7-yl]methyl]-N-phenylacetamide;molecular hydrogen
CID 143113448
6,10,14-triphenyl-7,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 169309425
2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide
CID 10155193
2-[9-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 144884764
2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one
CID 20790733
2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one
CID 20790696
4-[6-phenyl-2-[5-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]pyrimidin-4-yl]cyclohexa-2,4-diene-1-carbonitrile
CID 144595955
2-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidine
CID 138509773
2-[9-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118476390
3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 90261695

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]-1,6-diphenyl-1,7-naphthyridin-4-one?
The IUPAC name of 2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]-1,6-diphenyl-1,7-naphthyridin-4-one (CID 142837630) is 2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]-1,6-diphenyl-1,7-naphthyridin-4-one.
What is the SMILES notation for 2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]-1,6-diphenyl-1,7-naphthyridin-4-one?
The canonical SMILES for 2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]-1,6-diphenyl-1,7-naphthyridin-4-one is CC1C=CC(Nc2cc(=O)c3cc(-c4ccccc4)ncc3n2-c2ccccc2)=CC1.
What is the InChIKey of 2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]-1,6-diphenyl-1,7-naphthyridin-4-one?
The InChIKey is SQAWIBIQRBSSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O/c1-19-12-14-21(15-13-19)29-27-17-26(31)23-16-24(20-8-4-2-5-9-20)28-18-25(23)30(27)22-10-6-3-7-11-22/h2-12,14-19,29H,13H2,1H3.
What are the key properties of 2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]-1,6-diphenyl-1,7-naphthyridin-4-one?
2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]-1,6-diphenyl-1,7-naphthyridin-4-one has a molecular weight of 405.50 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]-1,6-diphenyl-1,7-naphthyridin-4-one is sourced from PubChem (CID 142837630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).