2-(cyclohexa-1,5-dien-1-ylamino)-5,7-dimethyl-1-phenyl-1,6-naphthyridin-4-one

C22H21N3O — CID 142225594

IUPAC2-(cyclohexa-1,5-dien-1-ylamino)-5,7-dimethyl-1-phenyl-1,6-naphthyridin-4-one
SMILESCc1cc2c(c(C)n1)c(=O)cc(NC1=CCCC=C1)n2-c1ccccc1
InChIInChI=1S/C22H21N3O/c1-15-13-19-22(16(2)23-15)20(26)14-21(24-17-9-5-3-6-10-17)25(19)18-11-7-4-8-12-18/h4-5,7-14,24H,3,6H2,1-2H3
InChIKeyJHRFZANXUZRYBZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.65
Rot. Bonds3

About 2-(cyclohexa-1,5-dien-1-ylamino)-5,7-dimethyl-1-phenyl-1,6-naphthyridin-4-one

2-(cyclohexa-1,5-dien-1-ylamino)-5,7-dimethyl-1-phenyl-1,6-naphthyridin-4-one (PubChem CID 142225594) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(cyclohexa-1,5-dien-1-ylamino)-5,7-dimethyl-1-phenyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-(cyclohexa-1,5-dien-1-ylamino)-5,7-dimethyl-1-phenyl-1,6-naphthyridin-4-one
PubChem CID142225594
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-(cyclohexa-1,5-dien-1-ylamino)-5,7-dimethyl-1-phenyl-1,6-naphthyridin-4-one
SMILESCc1cc2c(c(C)n1)c(=O)cc(NC1=CCCC=C1)n2-c1ccccc1
InChIInChI=1S/C22H21N3O/c1-15-13-19-22(16(2)23-15)20(26)14-21(24-17-9-5-3-6-10-17)25(19)18-11-7-4-8-12-18/h4-5,7-14,24H,3,6H2,1-2H3
InChIKeyJHRFZANXUZRYBZ-UHFFFAOYSA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-1,5-dien-1-ylamino)-5,7-dimethyl-1-phenyl-1,6-naphthyridin-4-one?
The IUPAC name of 2-(cyclohexa-1,5-dien-1-ylamino)-5,7-dimethyl-1-phenyl-1,6-naphthyridin-4-one (CID 142225594) is 2-(cyclohexa-1,5-dien-1-ylamino)-5,7-dimethyl-1-phenyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-(cyclohexa-1,5-dien-1-ylamino)-5,7-dimethyl-1-phenyl-1,6-naphthyridin-4-one?
The canonical SMILES for 2-(cyclohexa-1,5-dien-1-ylamino)-5,7-dimethyl-1-phenyl-1,6-naphthyridin-4-one is Cc1cc2c(c(C)n1)c(=O)cc(NC1=CCCC=C1)n2-c1ccccc1.
What is the InChIKey of 2-(cyclohexa-1,5-dien-1-ylamino)-5,7-dimethyl-1-phenyl-1,6-naphthyridin-4-one?
The InChIKey is JHRFZANXUZRYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-15-13-19-22(16(2)23-15)20(26)14-21(24-17-9-5-3-6-10-17)25(19)18-11-7-4-8-12-18/h4-5,7-14,24H,3,6H2,1-2H3.
What are the key properties of 2-(cyclohexa-1,5-dien-1-ylamino)-5,7-dimethyl-1-phenyl-1,6-naphthyridin-4-one?
2-(cyclohexa-1,5-dien-1-ylamino)-5,7-dimethyl-1-phenyl-1,6-naphthyridin-4-one has a molecular weight of 343.43 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-1,5-dien-1-ylamino)-5,7-dimethyl-1-phenyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 142225594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).