3-ethyl-8-(5-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;pyrido[3,2-d]pyrimidine-2,4-diamine

C30H27N7O — CID 144514840

IUPAC3-ethyl-8-(5-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCc1cc2cccc(-c3cncc(C)c3)c2c(=O)n1-c1ccccc1.Nc1nc(N)c2ncccc2n1
InChIInChI=1S/C23H20N2O.C7H7N5/c1-3-19-13-17-8-7-11-21(18-12-16(2)14-24-15-18)22(17)23(26)25(19)20-9-5-4-6-10-20;8-6-5-4(2-1-3-10-5)11-7(9)12-6/h4-15H,3H2,1-2H3;1-3H,(H4,8,9,11,12)
InChIKeyOVRBJGXWRQCWMF-UHFFFAOYSA-N
MW501.59 g/mol
LogP5.11
Rot. Bonds3

About 3-ethyl-8-(5-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;pyrido[3,2-d]pyrimidine-2,4-diamine

3-ethyl-8-(5-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 144514840) has the molecular formula C30H27N7O and a molecular weight of 501.59 g/mol. Its IUPAC name is 3-ethyl-8-(5-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name3-ethyl-8-(5-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID144514840
Molecular FormulaC30H27N7O
Molecular Weight501.59 g/mol
Exact Mass501.23
IUPAC Name3-ethyl-8-(5-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCc1cc2cccc(-c3cncc(C)c3)c2c(=O)n1-c1ccccc1.Nc1nc(N)c2ncccc2n1
InChIInChI=1S/C23H20N2O.C7H7N5/c1-3-19-13-17-8-7-11-21(18-12-16(2)14-24-15-18)22(17)23(26)25(19)20-9-5-4-6-10-20;8-6-5-4(2-1-3-10-5)11-7(9)12-6/h4-15H,3H2,1-2H3;1-3H,(H4,8,9,11,12)
InChIKeyOVRBJGXWRQCWMF-UHFFFAOYSA-N
XLogP5.11
TPSA125.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-ethyl-8-(5-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;pyrido[3,2-d]pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

3-[1-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-8-(5-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one
CID 78043144
2,4-diaminopyrimidine-5-carbonitrile;3-ethyl-2-(3-fluorophenyl)-8-(5-methyl-3-pyridinyl)isoquinolin-1-one
CID 144543987
ethane;3-ethyl-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one;5-pyridin-3-ylpyrimidine-2,4-diamine
CID 144543796
3-(4-amino-2-methylpyrimidin-5-yl)-5-fluorophenol;3-ethyl-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one
CID 144543993
3-[1-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-2-phenyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)isoquinolin-1-one
CID 78043105
2,4-diaminopyrimidine-5-carboxylic acid;3-ethyl-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one
CID 144543729
2,4-diaminopyrimidine-5-carbonitrile;3-ethyl-8-(2-methoxypyrimidin-5-yl)-2-phenylisoquinolin-1-one
CID 144543990
2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one
CID 144954674
8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one
CID 71291771
2-chloro-5-methylpyrimidin-4-amine;ethane;3-ethyl-8-(2-methoxypyrimidin-5-yl)-2-phenylisoquinolin-1-one
CID 144543773
2,4-diaminopyrimidine-5-carbonitrile;3-ethyl-8-(2-methylsulfanyl-4-pyridinyl)-2-phenylisoquinolin-1-one
CID 144543869
3-[(1S)-1-[(2-methylpyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-2-phenyl-8-quinolin-3-ylisoquinolin-1-one
CID 71242391

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-(5-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 3-ethyl-8-(5-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;pyrido[3,2-d]pyrimidine-2,4-diamine (CID 144514840) is 3-ethyl-8-(5-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 3-ethyl-8-(5-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 3-ethyl-8-(5-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;pyrido[3,2-d]pyrimidine-2,4-diamine is CCc1cc2cccc(-c3cncc(C)c3)c2c(=O)n1-c1ccccc1.Nc1nc(N)c2ncccc2n1.
What is the InChIKey of 3-ethyl-8-(5-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is OVRBJGXWRQCWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O.C7H7N5/c1-3-19-13-17-8-7-11-21(18-12-16(2)14-24-15-18)22(17)23(26)25(19)20-9-5-4-6-10-20;8-6-5-4(2-1-3-10-5)11-7(9)12-6/h4-15H,3H2,1-2H3;1-3H,(H4,8,9,11,12).
What are the key properties of 3-ethyl-8-(5-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;pyrido[3,2-d]pyrimidine-2,4-diamine?
3-ethyl-8-(5-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 501.59 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-(5-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 144514840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).