1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea

C22H27N3O2 — CID 30376939

IUPAC1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c1
InChIInChI=1S/C22H27N3O2/c1-15(2)11-12-25-20-9-8-19(14-17(20)7-10-21(25)26)24-22(27)23-18-6-4-5-16(3)13-18/h4-6,8-9,13-15H,7,10-12H2,1-3H3,(H2,23,24,27)
InChIKeyXTWQUBDMXVNFRV-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.96
Rot. Bonds5

About 1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea

1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea (PubChem CID 30376939) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea
PubChem CID30376939
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c1
InChIInChI=1S/C22H27N3O2/c1-15(2)11-12-25-20-9-8-19(14-17(20)7-10-21(25)26)24-22(27)23-18-6-4-5-16(3)13-18/h4-6,8-9,13-15H,7,10-12H2,1-3H3,(H2,23,24,27)
InChIKeyXTWQUBDMXVNFRV-UHFFFAOYSA-N
XLogP4.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea
CID 30376245
1-(3,4-dichlorophenyl)-3-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea
CID 30376866
phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate
CID 16927201
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide
CID 16927232
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide
CID 121084335
2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927224
3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927187
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide
CID 16927194
3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927256
2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide
CID 16927276
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]propane-2-sulfonamide
CID 16927653
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide
CID 16927234

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea (CID 30376939) is 1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c1.
What is the InChIKey of 1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea?
The InChIKey is XTWQUBDMXVNFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15(2)11-12-25-20-9-8-19(14-17(20)7-10-21(25)26)24-22(27)23-18-6-4-5-16(3)13-18/h4-6,8-9,13-15H,7,10-12H2,1-3H3,(H2,23,24,27).
What are the key properties of 1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea?
1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea has a molecular weight of 365.48 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 30376939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).