1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea

C20H18ClN3O — CID 113214552

IUPAC1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)Nc1cccc2cccnc12
InChIInChI=1S/C20H18ClN3O/c21-16-8-6-15(7-9-16)20(10-11-20)13-23-19(25)24-17-5-1-3-14-4-2-12-22-18(14)17/h1-9,12H,10-11,13H2,(H2,23,24,25)
InChIKeyZEJQBTANPWUGAU-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.74
Rot. Bonds4

About 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea

1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea (PubChem CID 113214552) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
PubChem CID113214552
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)Nc1cccc2cccnc12
InChIInChI=1S/C20H18ClN3O/c21-16-8-6-15(7-9-16)20(10-11-20)13-23-19(25)24-17-5-1-3-14-4-2-12-22-18(14)17/h1-9,12H,10-11,13H2,(H2,23,24,25)
InChIKeyZEJQBTANPWUGAU-UHFFFAOYSA-N
XLogP4.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214114
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214406
1-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214884
1-propyl-3-quinolin-8-ylurea
CID 13078451
1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea
CID 108991844
2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide
CID 132572979
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
1-(furan-3-ylmethyl)-3-quinolin-8-ylurea
CID 47219536
1-(3-chlorophenyl)-N-quinolin-8-ylcyclobutane-1-carboxamide
CID 134022555
1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea
CID 47032875
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113090713
2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide
CID 4006283

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea?
The IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea (CID 113214552) is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea?
The canonical SMILES for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea is O=C(NCC1(c2ccc(Cl)cc2)CC1)Nc1cccc2cccnc12.
What is the InChIKey of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea?
The InChIKey is ZEJQBTANPWUGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c21-16-8-6-15(7-9-16)20(10-11-20)13-23-19(25)24-17-5-1-3-14-4-2-12-22-18(14)17/h1-9,12H,10-11,13H2,(H2,23,24,25).
What are the key properties of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea?
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea has a molecular weight of 351.84 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea is sourced from PubChem (CID 113214552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).