6-[hydroxy-(3-methylimidazol-4-yl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-methyl-4-(3-methylphenyl)quinolin-2-one

C33H34N4O3 — CID 142129215

IUPAC6-[hydroxy-(3-methylimidazol-4-yl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-methyl-4-(3-methylphenyl)quinolin-2-one
SMILESCc1cccc(-c2cc(=O)n(C)c3ccc(C(O)(c4ccc(CN5CCOCC5)cc4)c4cncn4C)cc23)c1
InChIInChI=1S/C33H34N4O3/c1-23-5-4-6-25(17-23)28-19-32(38)36(3)30-12-11-27(18-29(28)30)33(39,31-20-34-22-35(31)2)26-9-7-24(8-10-26)21-37-13-15-40-16-14-37/h4-12,17-20,22,39H,13-16,21H2,1-3H3
InChIKeyFDOUQLWHAROCEB-UHFFFAOYSA-N
MW534.66 g/mol
LogP4.36
Rot. Bonds6

About 6-[hydroxy-(3-methylimidazol-4-yl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-methyl-4-(3-methylphenyl)quinolin-2-one

6-[hydroxy-(3-methylimidazol-4-yl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-methyl-4-(3-methylphenyl)quinolin-2-one (PubChem CID 142129215) has the molecular formula C33H34N4O3 and a molecular weight of 534.66 g/mol. Its IUPAC name is 6-[hydroxy-(3-methylimidazol-4-yl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-methyl-4-(3-methylphenyl)quinolin-2-one.

Molecular Properties

Compound Name6-[hydroxy-(3-methylimidazol-4-yl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-methyl-4-(3-methylphenyl)quinolin-2-one
PubChem CID142129215
Molecular FormulaC33H34N4O3
Molecular Weight534.66 g/mol
Exact Mass534.26
IUPAC Name6-[hydroxy-(3-methylimidazol-4-yl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-methyl-4-(3-methylphenyl)quinolin-2-one
SMILESCc1cccc(-c2cc(=O)n(C)c3ccc(C(O)(c4ccc(CN5CCOCC5)cc4)c4cncn4C)cc23)c1
InChIInChI=1S/C33H34N4O3/c1-23-5-4-6-25(17-23)28-19-32(38)36(3)30-12-11-27(18-29(28)30)33(39,31-20-34-22-35(31)2)26-9-7-24(8-10-26)21-37-13-15-40-16-14-37/h4-12,17-20,22,39H,13-16,21H2,1-3H3
InChIKeyFDOUQLWHAROCEB-UHFFFAOYSA-N
XLogP4.36
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.66
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy-(3-methylimidazol-4-yl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-methyl-4-(3-methylphenyl)quinolin-2-one?
The IUPAC name of 6-[hydroxy-(3-methylimidazol-4-yl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-methyl-4-(3-methylphenyl)quinolin-2-one (CID 142129215) is 6-[hydroxy-(3-methylimidazol-4-yl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-methyl-4-(3-methylphenyl)quinolin-2-one.
What is the SMILES notation for 6-[hydroxy-(3-methylimidazol-4-yl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-methyl-4-(3-methylphenyl)quinolin-2-one?
The canonical SMILES for 6-[hydroxy-(3-methylimidazol-4-yl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-methyl-4-(3-methylphenyl)quinolin-2-one is Cc1cccc(-c2cc(=O)n(C)c3ccc(C(O)(c4ccc(CN5CCOCC5)cc4)c4cncn4C)cc23)c1.
What is the InChIKey of 6-[hydroxy-(3-methylimidazol-4-yl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-methyl-4-(3-methylphenyl)quinolin-2-one?
The InChIKey is FDOUQLWHAROCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O3/c1-23-5-4-6-25(17-23)28-19-32(38)36(3)30-12-11-27(18-29(28)30)33(39,31-20-34-22-35(31)2)26-9-7-24(8-10-26)21-37-13-15-40-16-14-37/h4-12,17-20,22,39H,13-16,21H2,1-3H3.
What are the key properties of 6-[hydroxy-(3-methylimidazol-4-yl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-methyl-4-(3-methylphenyl)quinolin-2-one?
6-[hydroxy-(3-methylimidazol-4-yl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-methyl-4-(3-methylphenyl)quinolin-2-one has a molecular weight of 534.66 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy-(3-methylimidazol-4-yl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-methyl-4-(3-methylphenyl)quinolin-2-one is sourced from PubChem (CID 142129215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).