1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea

C17H23N3O2 — CID 111431668

IUPAC1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea
SMILESCc1ccc2cccc(NC(=O)NCC(O)CC(C)C)c2n1
InChIInChI=1S/C17H23N3O2/c1-11(2)9-14(21)10-18-17(22)20-15-6-4-5-13-8-7-12(3)19-16(13)15/h4-8,11,14,21H,9-10H2,1-3H3,(H2,18,20,22)
InChIKeyKAFGNJVTEYRRLS-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.07
Rot. Bonds5

About 1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea

1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea (PubChem CID 111431668) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea
PubChem CID111431668
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea
SMILESCc1ccc2cccc(NC(=O)NCC(O)CC(C)C)c2n1
InChIInChI=1S/C17H23N3O2/c1-11(2)9-14(21)10-18-17(22)20-15-6-4-5-13-8-7-12(3)19-16(13)15/h4-8,11,14,21H,9-10H2,1-3H3,(H2,18,20,22)
InChIKeyKAFGNJVTEYRRLS-UHFFFAOYSA-N
XLogP3.07
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea
CID 111431670
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methylquinolin-8-yl)urea
CID 111104482
2-methyl-3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 79201712
1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655765
1-[(3-methyl-2-pyridinyl)methyl]-3-(2-methylquinolin-8-yl)urea
CID 56790764
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide
CID 17274622
2-amino-N-(2-methylquinolin-8-yl)acetamide
CID 62952419
3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid
CID 62953963
1-(2-hydroxy-4-methylpentyl)-3-(3-methylphenyl)urea
CID 110909846
N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 62954985
(2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
CID 103929864

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea?
The IUPAC name of 1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea (CID 111431668) is 1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea?
The canonical SMILES for 1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea is Cc1ccc2cccc(NC(=O)NCC(O)CC(C)C)c2n1.
What is the InChIKey of 1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea?
The InChIKey is KAFGNJVTEYRRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11(2)9-14(21)10-18-17(22)20-15-6-4-5-13-8-7-12(3)19-16(13)15/h4-8,11,14,21H,9-10H2,1-3H3,(H2,18,20,22).
What are the key properties of 1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea?
1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea has a molecular weight of 301.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea is sourced from PubChem (CID 111431668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).