1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-quinolin-8-ylurea

C19H22N6O — CID 125166001

IUPAC1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-quinolin-8-ylurea
SMILESC[C@H](NC(=O)Nc1cccc2cccnc12)c1nncn1C1CCCC1
InChIInChI=1S/C19H22N6O/c1-13(18-24-21-12-25(18)15-8-2-3-9-15)22-19(26)23-16-10-4-6-14-7-5-11-20-17(14)16/h4-7,10-13,15H,2-3,8-9H2,1H3,(H2,22,23,26)/t13-/m0/s1
InChIKeyLPUFSWRJXXAXLK-ZDUSSCGKSA-N
MW350.43 g/mol
LogP3.82
Rot. Bonds4

About 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-quinolin-8-ylurea

1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-quinolin-8-ylurea (PubChem CID 125166001) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-quinolin-8-ylurea
PubChem CID125166001
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-quinolin-8-ylurea
SMILESC[C@H](NC(=O)Nc1cccc2cccnc12)c1nncn1C1CCCC1
InChIInChI=1S/C19H22N6O/c1-13(18-24-21-12-25(18)15-8-2-3-9-15)22-19(26)23-16-10-4-6-14-7-5-11-20-17(14)16/h4-7,10-13,15H,2-3,8-9H2,1H3,(H2,22,23,26)/t13-/m0/s1
InChIKeyLPUFSWRJXXAXLK-ZDUSSCGKSA-N
XLogP3.82
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-quinolin-8-ylurea with MolForge

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Related Compounds

3-[[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]-N,4-dimethylbenzamide
CID 125158221
3-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-N,4-dimethylbenzamide
CID 118768495
1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea
CID 126428144
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 125166249
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide
CID 59003766
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 118786649
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126426673
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126426674
2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 135023876
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-3-phenylbutanamide
CID 125165723
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide
CID 125162457

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-quinolin-8-ylurea?
The IUPAC name of 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-quinolin-8-ylurea (CID 125166001) is 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-quinolin-8-ylurea.
What is the SMILES notation for 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-quinolin-8-ylurea?
The canonical SMILES for 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-quinolin-8-ylurea is C[C@H](NC(=O)Nc1cccc2cccnc12)c1nncn1C1CCCC1.
What is the InChIKey of 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-quinolin-8-ylurea?
The InChIKey is LPUFSWRJXXAXLK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13(18-24-21-12-25(18)15-8-2-3-9-15)22-19(26)23-16-10-4-6-14-7-5-11-20-17(14)16/h4-7,10-13,15H,2-3,8-9H2,1H3,(H2,22,23,26)/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-quinolin-8-ylurea?
1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-quinolin-8-ylurea has a molecular weight of 350.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-quinolin-8-ylurea is sourced from PubChem (CID 125166001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).