1-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]-3-phenylurea

C31H34N4O4 — CID 166450521

IUPAC1-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]-3-phenylurea
SMILESCOc1cc2cc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)c(C)nc2cc1OCCN1CCCCC1
InChIInChI=1S/C31H34N4O4/c1-22-28(39-26-13-11-25(12-14-26)34-31(36)33-24-9-5-3-6-10-24)19-23-20-29(37-2)30(21-27(23)32-22)38-18-17-35-15-7-4-8-16-35/h3,5-6,9-14,19-21H,4,7-8,15-18H2,1-2H3,(H2,33,34,36)
InChIKeyYOGXFVAJZQGEMK-UHFFFAOYSA-N
MW526.64 g/mol
LogP6.85
Rot. Bonds9

About 1-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]-3-phenylurea

1-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]-3-phenylurea (PubChem CID 166450521) has the molecular formula C31H34N4O4 and a molecular weight of 526.64 g/mol. Its IUPAC name is 1-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]-3-phenylurea
PubChem CID166450521
Molecular FormulaC31H34N4O4
Molecular Weight526.64 g/mol
Exact Mass526.26
IUPAC Name1-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]-3-phenylurea
SMILESCOc1cc2cc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)c(C)nc2cc1OCCN1CCCCC1
InChIInChI=1S/C31H34N4O4/c1-22-28(39-26-13-11-25(12-14-26)34-31(36)33-24-9-5-3-6-10-24)19-23-20-29(37-2)30(21-27(23)32-22)38-18-17-35-15-7-4-8-16-35/h3,5-6,9-14,19-21H,4,7-8,15-18H2,1-2H3,(H2,33,34,36)
InChIKeyYOGXFVAJZQGEMK-UHFFFAOYSA-N
XLogP6.85
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]-3-phenylurea with MolForge

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]urea
CID 164517442
1-[4-[6-isocyano-7-(2-pyrrolidin-1-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 58930827
1-(3,3-dimethylbutyl)-3-[4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]urea;hydrochloride
CID 23022657
1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(1S)-1-phenylethyl]urea
CID 71462874
3,5-dichloro-N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]benzamide
CID 155812930
1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea
CID 90894366
1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea
CID 39735359
1-N-[4-(6,7-dimethoxyquinolin-2-yl)oxyphenyl]-1-N'-[2-(piperidin-1-ylmethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 90004359
1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 22936388
1-(3,3-dimethylbutyl)-3-[4-[7-[2-(4-hydroxypiperidin-1-yl)ethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]urea
CID 23022811
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
1-(3-fluoro-4-methoxyphenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea
CID 169040107

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]-3-phenylurea?
The IUPAC name of 1-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]-3-phenylurea (CID 166450521) is 1-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]-3-phenylurea is COc1cc2cc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)c(C)nc2cc1OCCN1CCCCC1.
What is the InChIKey of 1-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]-3-phenylurea?
The InChIKey is YOGXFVAJZQGEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O4/c1-22-28(39-26-13-11-25(12-14-26)34-31(36)33-24-9-5-3-6-10-24)19-23-20-29(37-2)30(21-27(23)32-22)38-18-17-35-15-7-4-8-16-35/h3,5-6,9-14,19-21H,4,7-8,15-18H2,1-2H3,(H2,33,34,36).
What are the key properties of 1-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]-3-phenylurea?
1-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]-3-phenylurea has a molecular weight of 526.64 g/mol, XLogP of 6.85, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-methoxy-2-methyl-7-(2-piperidin-1-ylethoxy)quinolin-3-yl]oxyphenyl]-3-phenylurea is sourced from PubChem (CID 166450521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).