1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea

C21H24ClN3O2 — CID 30372089

IUPAC1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea
SMILESCC(C)C(=O)N1CCCc2ccc(NC(=O)NCc3ccc(Cl)cc3)cc21
InChIInChI=1S/C21H24ClN3O2/c1-14(2)20(26)25-11-3-4-16-7-10-18(12-19(16)25)24-21(27)23-13-15-5-8-17(22)9-6-15/h5-10,12,14H,3-4,11,13H2,1-2H3,(H2,23,24,27)
InChIKeyZSXVNAZDKVFBEB-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.60
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea

1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea (PubChem CID 30372089) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea
PubChem CID30372089
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea
SMILESCC(C)C(=O)N1CCCc2ccc(NC(=O)NCc3ccc(Cl)cc3)cc21
InChIInChI=1S/C21H24ClN3O2/c1-14(2)20(26)25-11-3-4-16-7-10-18(12-19(16)25)24-21(27)23-13-15-5-8-17(22)9-6-15/h5-10,12,14H,3-4,11,13H2,1-2H3,(H2,23,24,27)
InChIKeyZSXVNAZDKVFBEB-UHFFFAOYSA-N
XLogP4.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30373655
N-[(2-chlorophenyl)methyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688053
methyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 7517544
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide
CID 7688050
3,4-difluoro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517474
dimethyl-[2-[[2-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoacetyl]amino]ethyl]azanium
CID 7688017
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-[(4-fluorophenyl)methyl]urea
CID 30372619
2-(4-chlorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 16835128
1-[(4-fluorophenyl)methyl]-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea
CID 30372783
N-(2,2-dimethoxyethyl)-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688029
N-cyclopropyl-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688051
1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 135195397

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea (CID 30372089) is 1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea is CC(C)C(=O)N1CCCc2ccc(NC(=O)NCc3ccc(Cl)cc3)cc21.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea?
The InChIKey is ZSXVNAZDKVFBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-14(2)20(26)25-11-3-4-16-7-10-18(12-19(16)25)24-21(27)23-13-15-5-8-17(22)9-6-15/h5-10,12,14H,3-4,11,13H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea?
1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea has a molecular weight of 385.90 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea is sourced from PubChem (CID 30372089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).