7-methoxy-4-(4-methoxyphenyl)-1-[(4-piperidin-4-yloxyphenyl)methyl]quinolin-2-one

C29H30N2O4 — CID 139956939

IUPAC7-methoxy-4-(4-methoxyphenyl)-1-[(4-piperidin-4-yloxyphenyl)methyl]quinolin-2-one
SMILESCOc1ccc(-c2cc(=O)n(Cc3ccc(OC4CCNCC4)cc3)c3cc(OC)ccc23)cc1
InChIInChI=1S/C29H30N2O4/c1-33-22-9-5-21(6-10-22)27-18-29(32)31(28-17-25(34-2)11-12-26(27)28)19-20-3-7-23(8-4-20)35-24-13-15-30-16-14-24/h3-12,17-18,24,30H,13-16,19H2,1-2H3
InChIKeyJCWWNQJERHXDIB-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.86
Rot. Bonds7

About 7-methoxy-4-(4-methoxyphenyl)-1-[(4-piperidin-4-yloxyphenyl)methyl]quinolin-2-one

7-methoxy-4-(4-methoxyphenyl)-1-[(4-piperidin-4-yloxyphenyl)methyl]quinolin-2-one (PubChem CID 139956939) has the molecular formula C29H30N2O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is 7-methoxy-4-(4-methoxyphenyl)-1-[(4-piperidin-4-yloxyphenyl)methyl]quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-4-(4-methoxyphenyl)-1-[(4-piperidin-4-yloxyphenyl)methyl]quinolin-2-one
PubChem CID139956939
Molecular FormulaC29H30N2O4
Molecular Weight470.57 g/mol
Exact Mass470.22
IUPAC Name7-methoxy-4-(4-methoxyphenyl)-1-[(4-piperidin-4-yloxyphenyl)methyl]quinolin-2-one
SMILESCOc1ccc(-c2cc(=O)n(Cc3ccc(OC4CCNCC4)cc3)c3cc(OC)ccc23)cc1
InChIInChI=1S/C29H30N2O4/c1-33-22-9-5-21(6-10-22)27-18-29(32)31(28-17-25(34-2)11-12-26(27)28)19-20-3-7-23(8-4-20)35-24-13-15-30-16-14-24/h3-12,17-18,24,30H,13-16,19H2,1-2H3
InChIKeyJCWWNQJERHXDIB-UHFFFAOYSA-N
XLogP4.86
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(4-methoxyphenyl)-1-[(4-piperidin-4-yloxyphenyl)methyl]quinolin-2-one?
The IUPAC name of 7-methoxy-4-(4-methoxyphenyl)-1-[(4-piperidin-4-yloxyphenyl)methyl]quinolin-2-one (CID 139956939) is 7-methoxy-4-(4-methoxyphenyl)-1-[(4-piperidin-4-yloxyphenyl)methyl]quinolin-2-one.
What is the SMILES notation for 7-methoxy-4-(4-methoxyphenyl)-1-[(4-piperidin-4-yloxyphenyl)methyl]quinolin-2-one?
The canonical SMILES for 7-methoxy-4-(4-methoxyphenyl)-1-[(4-piperidin-4-yloxyphenyl)methyl]quinolin-2-one is COc1ccc(-c2cc(=O)n(Cc3ccc(OC4CCNCC4)cc3)c3cc(OC)ccc23)cc1.
What is the InChIKey of 7-methoxy-4-(4-methoxyphenyl)-1-[(4-piperidin-4-yloxyphenyl)methyl]quinolin-2-one?
The InChIKey is JCWWNQJERHXDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O4/c1-33-22-9-5-21(6-10-22)27-18-29(32)31(28-17-25(34-2)11-12-26(27)28)19-20-3-7-23(8-4-20)35-24-13-15-30-16-14-24/h3-12,17-18,24,30H,13-16,19H2,1-2H3.
What are the key properties of 7-methoxy-4-(4-methoxyphenyl)-1-[(4-piperidin-4-yloxyphenyl)methyl]quinolin-2-one?
7-methoxy-4-(4-methoxyphenyl)-1-[(4-piperidin-4-yloxyphenyl)methyl]quinolin-2-one has a molecular weight of 470.57 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(4-methoxyphenyl)-1-[(4-piperidin-4-yloxyphenyl)methyl]quinolin-2-one is sourced from PubChem (CID 139956939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).