(3-methylquinolin-2-yl)urea

C11H11N3O — CID 141055729

IUPAC(3-methylquinolin-2-yl)urea
SMILESCc1cc2ccccc2nc1NC(N)=O
InChIInChI=1S/C11H11N3O/c1-7-6-8-4-2-3-5-9(8)13-10(7)14-11(12)15/h2-6H,1H3,(H3,12,13,14,15)
InChIKeyYCWLQDGKYQHIIF-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.03
Rot. Bonds1

About (3-methylquinolin-2-yl)urea

(3-methylquinolin-2-yl)urea (PubChem CID 141055729) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (3-methylquinolin-2-yl)urea.

Molecular Properties

Compound Name(3-methylquinolin-2-yl)urea
PubChem CID141055729
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(3-methylquinolin-2-yl)urea
SMILESCc1cc2ccccc2nc1NC(N)=O
InChIInChI=1S/C11H11N3O/c1-7-6-8-4-2-3-5-9(8)13-10(7)14-11(12)15/h2-6H,1H3,(H3,12,13,14,15)
InChIKeyYCWLQDGKYQHIIF-UHFFFAOYSA-N
XLogP2.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylquinolin-2-yl)amino]propanamide
CID 63229343
methyl 2-[(3-methylquinolin-2-yl)amino]propanoate
CID 63229182
N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide
CID 63228938
N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide
CID 55175937
1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine
CID 154949074
2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 64550319
N-[(2-ethylphenyl)methyl]-3-methylquinolin-2-amine
CID 64693443
2-[1-[(3-methylquinolin-2-yl)amino]cyclobutyl]acetic acid
CID 79846561
3-hydroxy-N'-(3-methylquinolin-2-yl)-3-phenylbutanehydrazide
CID 110026466
1-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 63730578
3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine
CID 106287148
2-[(3-methylquinolin-2-yl)amino]-2-phenylethanol
CID 63228896

Frequently Asked Questions

What is the IUPAC name of (3-methylquinolin-2-yl)urea?
The IUPAC name of (3-methylquinolin-2-yl)urea (CID 141055729) is (3-methylquinolin-2-yl)urea.
What is the SMILES notation for (3-methylquinolin-2-yl)urea?
The canonical SMILES for (3-methylquinolin-2-yl)urea is Cc1cc2ccccc2nc1NC(N)=O.
What is the InChIKey of (3-methylquinolin-2-yl)urea?
The InChIKey is YCWLQDGKYQHIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7-6-8-4-2-3-5-9(8)13-10(7)14-11(12)15/h2-6H,1H3,(H3,12,13,14,15).
What are the key properties of (3-methylquinolin-2-yl)urea?
(3-methylquinolin-2-yl)urea has a molecular weight of 201.23 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylquinolin-2-yl)urea is sourced from PubChem (CID 141055729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).