2-(2-bicyclo[4.1.0]hept-2-enylamino)-5-methyl-1-phenyl-1,7-naphthyridin-4-one;molecular hydrogen

C22H23N3O — CID 142837631

IUPAC2-(2-bicyclo[4.1.0]hept-2-enylamino)-5-methyl-1-phenyl-1,7-naphthyridin-4-one;molecular hydrogen
SMILESCc1cncc2c1c(=O)cc(NC1=CCCC3CC13)n2-c1ccccc1.[H][H]
InChIInChI=1S/C22H21N3O.H2/c1-14-12-23-13-19-22(14)20(26)11-21(25(19)16-7-3-2-4-8-16)24-18-9-5-6-15-10-17(15)18;/h2-4,7-9,11-13,15,17,24H,5-6,10H2,1H3;1H
InChIKeyACAACZLWGRNMMF-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.67
Rot. Bonds3

About 2-(2-bicyclo[4.1.0]hept-2-enylamino)-5-methyl-1-phenyl-1,7-naphthyridin-4-one;molecular hydrogen

2-(2-bicyclo[4.1.0]hept-2-enylamino)-5-methyl-1-phenyl-1,7-naphthyridin-4-one;molecular hydrogen (PubChem CID 142837631) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(2-bicyclo[4.1.0]hept-2-enylamino)-5-methyl-1-phenyl-1,7-naphthyridin-4-one;molecular hydrogen.

Molecular Properties

Compound Name2-(2-bicyclo[4.1.0]hept-2-enylamino)-5-methyl-1-phenyl-1,7-naphthyridin-4-one;molecular hydrogen
PubChem CID142837631
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2-(2-bicyclo[4.1.0]hept-2-enylamino)-5-methyl-1-phenyl-1,7-naphthyridin-4-one;molecular hydrogen
SMILESCc1cncc2c1c(=O)cc(NC1=CCCC3CC13)n2-c1ccccc1.[H][H]
InChIInChI=1S/C22H21N3O.H2/c1-14-12-23-13-19-22(14)20(26)11-21(25(19)16-7-3-2-4-8-16)24-18-9-5-6-15-10-17(15)18;/h2-4,7-9,11-13,15,17,24H,5-6,10H2,1H3;1H
InChIKeyACAACZLWGRNMMF-UHFFFAOYSA-N
XLogP4.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-bicyclo[4.1.0]hept-2-enylamino)-5-methyl-1-phenyl-1,7-naphthyridin-4-one;molecular hydrogen with MolForge

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Related Compounds

5-amino-2-anilino-1-phenyl-1,7-naphthyridin-4-one
CID 58589534
2-(cyclohexa-1,5-dien-1-ylamino)-5,7-dimethyl-1-phenyl-1,6-naphthyridin-4-one
CID 142225594
7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide
CID 10201627
2-anilino-1-cyclohepta-1,3,6-trien-1-yl-5-cyclopentyloxy-1,7-naphthyridin-4-one
CID 142837654
2-anilino-6-[(cyclohexylamino)methyl]-7-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen
CID 142225323
2-anilino-7-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one
CID 20790833
2-anilino-5-(anilinomethyl)-7-methyl-1-phenyl-1,6-naphthyridin-4-one
CID 20790544
2-anilino-8-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one
CID 20790890
2-anilino-8-[(2-methylpropan-2-yl)oxy]-1-phenyl-1,6-naphthyridin-4-one
CID 20790507
2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one
CID 20790733
(E)-3-(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)prop-2-enoic acid
CID 20790965
2-anilino-8-(cyclohexylamino)-1-phenyl-1,6-naphthyridin-4-one
CID 20790898

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[4.1.0]hept-2-enylamino)-5-methyl-1-phenyl-1,7-naphthyridin-4-one;molecular hydrogen?
The IUPAC name of 2-(2-bicyclo[4.1.0]hept-2-enylamino)-5-methyl-1-phenyl-1,7-naphthyridin-4-one;molecular hydrogen (CID 142837631) is 2-(2-bicyclo[4.1.0]hept-2-enylamino)-5-methyl-1-phenyl-1,7-naphthyridin-4-one;molecular hydrogen.
What is the SMILES notation for 2-(2-bicyclo[4.1.0]hept-2-enylamino)-5-methyl-1-phenyl-1,7-naphthyridin-4-one;molecular hydrogen?
The canonical SMILES for 2-(2-bicyclo[4.1.0]hept-2-enylamino)-5-methyl-1-phenyl-1,7-naphthyridin-4-one;molecular hydrogen is Cc1cncc2c1c(=O)cc(NC1=CCCC3CC13)n2-c1ccccc1.[H][H].
What is the InChIKey of 2-(2-bicyclo[4.1.0]hept-2-enylamino)-5-methyl-1-phenyl-1,7-naphthyridin-4-one;molecular hydrogen?
The InChIKey is ACAACZLWGRNMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O.H2/c1-14-12-23-13-19-22(14)20(26)11-21(25(19)16-7-3-2-4-8-16)24-18-9-5-6-15-10-17(15)18;/h2-4,7-9,11-13,15,17,24H,5-6,10H2,1H3;1H.
What are the key properties of 2-(2-bicyclo[4.1.0]hept-2-enylamino)-5-methyl-1-phenyl-1,7-naphthyridin-4-one;molecular hydrogen?
2-(2-bicyclo[4.1.0]hept-2-enylamino)-5-methyl-1-phenyl-1,7-naphthyridin-4-one;molecular hydrogen has a molecular weight of 345.45 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[4.1.0]hept-2-enylamino)-5-methyl-1-phenyl-1,7-naphthyridin-4-one;molecular hydrogen is sourced from PubChem (CID 142837631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).