1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea

C16H21N3O2 — CID 111431670

IUPAC1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea
SMILESCCCC(O)CNC(=O)Nc1cccc2ccc(C)nc12
InChIInChI=1S/C16H21N3O2/c1-3-5-13(20)10-17-16(21)19-14-7-4-6-12-9-8-11(2)18-15(12)14/h4,6-9,13,20H,3,5,10H2,1-2H3,(H2,17,19,21)
InChIKeyFAIWTDPJFXNGJW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.83
Rot. Bonds5

About 1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea

1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea (PubChem CID 111431670) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea
PubChem CID111431670
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea
SMILESCCCC(O)CNC(=O)Nc1cccc2ccc(C)nc12
InChIInChI=1S/C16H21N3O2/c1-3-5-13(20)10-17-16(21)19-14-7-4-6-12-9-8-11(2)18-15(12)14/h4,6-9,13,20H,3,5,10H2,1-2H3,(H2,17,19,21)
InChIKeyFAIWTDPJFXNGJW-UHFFFAOYSA-N
XLogP2.83
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea
CID 111431668
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methylquinolin-8-yl)urea
CID 111104482
1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655765
2-methyl-3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 79201712
1-[(3-methyl-2-pyridinyl)methyl]-3-(2-methylquinolin-8-yl)urea
CID 56790764
2-(N'-hydroxycarbamimidoyl)-N-(2-methylquinolin-8-yl)butanamide
CID 76978266
1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(2R)-2-hydroxypentyl]urea
CID 95630447
methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
CID 112617186
2-amino-N-(2-methylquinolin-8-yl)acetamide
CID 62952419
3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid
CID 62953963
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
(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-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea?
The IUPAC name of 1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea (CID 111431670) is 1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea.
What is the SMILES notation for 1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea?
The canonical SMILES for 1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea is CCCC(O)CNC(=O)Nc1cccc2ccc(C)nc12.
What is the InChIKey of 1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea?
The InChIKey is FAIWTDPJFXNGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-5-13(20)10-17-16(21)19-14-7-4-6-12-9-8-11(2)18-15(12)14/h4,6-9,13,20H,3,5,10H2,1-2H3,(H2,17,19,21).
What are the key properties of 1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea?
1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea has a molecular weight of 287.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea is sourced from PubChem (CID 111431670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).