1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea

C21H25N3O3 — CID 30373580

IUPAC1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1
InChIInChI=1S/C21H25N3O3/c1-14(2)20(25)24-12-4-5-15-13-17(8-11-19(15)24)23-21(26)22-16-6-9-18(27-3)10-7-16/h6-11,13-14H,4-5,12H2,1-3H3,(H2,22,23,26)
InChIKeyUVBYHRNUZUGHQW-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.27
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea

1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea (PubChem CID 30373580) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea
PubChem CID30373580
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1
InChIInChI=1S/C21H25N3O3/c1-14(2)20(25)24-12-4-5-15-13-17(8-11-19(15)24)23-21(26)22-16-6-9-18(27-3)10-7-16/h6-11,13-14H,4-5,12H2,1-3H3,(H2,22,23,26)
InChIKeyUVBYHRNUZUGHQW-UHFFFAOYSA-N
XLogP4.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea with MolForge

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Related Compounds

1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea
CID 110358442
2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7656750
2-(3-methoxyphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498766
phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate
CID 7656784
2-(3,4-dimethoxyphenyl)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498752
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclopentanecarboxamide
CID 7656708
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7656757
(2R)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 30257325
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclohexanecarboxamide
CID 18584143
1-[(4-fluorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30373655
methyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 7517544
3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7498736

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea (CID 30373580) is 1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea is COc1ccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea?
The InChIKey is UVBYHRNUZUGHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14(2)20(25)24-12-4-5-15-13-17(8-11-19(15)24)23-21(26)22-16-6-9-18(27-3)10-7-16/h6-11,13-14H,4-5,12H2,1-3H3,(H2,22,23,26).
What are the key properties of 1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea?
1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea has a molecular weight of 367.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea is sourced from PubChem (CID 30373580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).