3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one

C25H20N4O — CID 90468576

IUPAC3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one
SMILESCc1cc2ccnc(NCc3ccnc4ccccc34)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C25H20N4O/c1-17-15-18-11-14-27-24(23(18)25(30)29(17)20-7-3-2-4-8-20)28-16-19-12-13-26-22-10-6-5-9-21(19)22/h2-15H,16H2,1H3,(H,27,28)
InChIKeyXUUZXMIOASYZMX-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.85
Rot. Bonds4

About 3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one

3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one (PubChem CID 90468576) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one
PubChem CID90468576
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one
SMILESCc1cc2ccnc(NCc3ccnc4ccccc34)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C25H20N4O/c1-17-15-18-11-14-27-24(23(18)25(30)29(17)20-7-3-2-4-8-20)28-16-19-12-13-26-22-10-6-5-9-21(19)22/h2-15H,16H2,1H3,(H,27,28)
InChIKeyXUUZXMIOASYZMX-UHFFFAOYSA-N
XLogP4.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(quinolin-4-ylmethyl)aniline
CID 57199115
1-tert-butyl-6-methyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 75384081
2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline
CID 63867018
N-benzyl-1,2-dimethylpyrrolo[2,3-c]pyridin-7-amine
CID 67422882
4-methoxy-N-(quinolin-4-ylmethyl)aniline
CID 63850882
1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 75470437
2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid
CID 79791371
2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline
CID 83078319
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868097
3,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868241

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one?
The IUPAC name of 3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one (CID 90468576) is 3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one.
What is the SMILES notation for 3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one?
The canonical SMILES for 3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one is Cc1cc2ccnc(NCc3ccnc4ccccc34)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one?
The InChIKey is XUUZXMIOASYZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-17-15-18-11-14-27-24(23(18)25(30)29(17)20-7-3-2-4-8-20)28-16-19-12-13-26-22-10-6-5-9-21(19)22/h2-15H,16H2,1H3,(H,27,28).
What are the key properties of 3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one?
3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one has a molecular weight of 392.46 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one is sourced from PubChem (CID 90468576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).