6-[amino-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-phenyl-1H-quinolin-2-one

C27H24N4O2 — CID 21302380

IUPAC6-[amino-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-phenyl-1H-quinolin-2-one
SMILESCOc1ccc(C(N)(c2ccc3[nH]c(=O)cc(-c4ccccc4)c3c2)c2cncn2C)cc1
InChIInChI=1S/C27H24N4O2/c1-31-17-29-16-25(31)27(28,19-8-11-21(33-2)12-9-19)20-10-13-24-23(14-20)22(15-26(32)30-24)18-6-4-3-5-7-18/h3-17H,28H2,1-2H3,(H,30,32)
InChIKeyNMZJYJOLCFFALY-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.19
Rot. Bonds5

About 6-[amino-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-phenyl-1H-quinolin-2-one

6-[amino-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-phenyl-1H-quinolin-2-one (PubChem CID 21302380) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 6-[amino-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[amino-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-phenyl-1H-quinolin-2-one
PubChem CID21302380
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name6-[amino-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-phenyl-1H-quinolin-2-one
SMILESCOc1ccc(C(N)(c2ccc3[nH]c(=O)cc(-c4ccccc4)c3c2)c2cncn2C)cc1
InChIInChI=1S/C27H24N4O2/c1-31-17-29-16-25(31)27(28,19-8-11-21(33-2)12-9-19)20-10-13-24-23(14-20)22(15-26(32)30-24)18-6-4-3-5-7-18/h3-17H,28H2,1-2H3,(H,30,32)
InChIKeyNMZJYJOLCFFALY-UHFFFAOYSA-N
XLogP4.19
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[amino-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-[amino-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-phenyl-1H-quinolin-2-one (CID 21302380) is 6-[amino-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-[amino-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-[amino-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-phenyl-1H-quinolin-2-one is COc1ccc(C(N)(c2ccc3[nH]c(=O)cc(-c4ccccc4)c3c2)c2cncn2C)cc1.
What is the InChIKey of 6-[amino-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is NMZJYJOLCFFALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-31-17-29-16-25(31)27(28,19-8-11-21(33-2)12-9-19)20-10-13-24-23(14-20)22(15-26(32)30-24)18-6-4-3-5-7-18/h3-17H,28H2,1-2H3,(H,30,32).
What are the key properties of 6-[amino-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-phenyl-1H-quinolin-2-one?
6-[amino-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 436.52 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 21302380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).