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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Related Compounds

1-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-7-methoxy-4-phenylquinolin-2-one
CID 139956885
4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 141068273
7-(hydroxymethyl)-4-[4-methoxy-3-[3-(4-piperidin-4-ylphenoxy)propoxymethyl]phenyl]-1-(3-methoxypropyl)quinolin-2-one
CID 143066542
3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one
CID 12751575
2-(4-piperidin-4-yloxyphenyl)acetaldehyde
CID 90039130
5-amino-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 118001654
1-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]methyl]-7-methoxy-4-phenylquinolin-2-one
CID 143375742
1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
CID 15497841
1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one
CID 59398402
3-formyl-6-methoxy-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 50742419
4-[(4-methoxyphenyl)methyl]-2-methyl-8-piperidin-4-yloxy-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
CID 166501332
10-benzyl-3-methoxyacridin-9-one
CID 12751573

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).