1-[(3-methyl-2-pyridinyl)methyl]-3-(2-methylquinolin-8-yl)urea

C18H18N4O — CID 56790764

IUPAC1-[(3-methyl-2-pyridinyl)methyl]-3-(2-methylquinolin-8-yl)urea
SMILESCc1ccc2cccc(NC(=O)NCc3ncccc3C)c2n1
InChIInChI=1S/C18H18N4O/c1-12-5-4-10-19-16(12)11-20-18(23)22-15-7-3-6-14-9-8-13(2)21-17(14)15/h3-10H,11H2,1-2H3,(H2,20,22,23)
InChIKeyJLVRNJGSKHTSTE-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.57
Rot. Bonds3

About 1-[(3-methyl-2-pyridinyl)methyl]-3-(2-methylquinolin-8-yl)urea

1-[(3-methyl-2-pyridinyl)methyl]-3-(2-methylquinolin-8-yl)urea (PubChem CID 56790764) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[(3-methyl-2-pyridinyl)methyl]-3-(2-methylquinolin-8-yl)urea.

Molecular Properties

Compound Name1-[(3-methyl-2-pyridinyl)methyl]-3-(2-methylquinolin-8-yl)urea
PubChem CID56790764
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-[(3-methyl-2-pyridinyl)methyl]-3-(2-methylquinolin-8-yl)urea
SMILESCc1ccc2cccc(NC(=O)NCc3ncccc3C)c2n1
InChIInChI=1S/C18H18N4O/c1-12-5-4-10-19-16(12)11-20-18(23)22-15-7-3-6-14-9-8-13(2)21-17(14)15/h3-10H,11H2,1-2H3,(H2,20,22,23)
InChIKeyJLVRNJGSKHTSTE-UHFFFAOYSA-N
XLogP3.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655765
1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea
CID 111431668
1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea
CID 111431670
1-propyl-3-quinolin-8-ylurea
CID 13078451
2-amino-N-(2-methylquinolin-8-yl)acetamide
CID 62952419
3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid
CID 62953963
2-methyl-3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 79201712
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methylquinolin-8-yl)urea
CID 111104482
3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
CID 110734160
2-methoxy-N-(2-methylquinolin-8-yl)acetamide
CID 62999446
1-(furan-3-ylmethyl)-3-quinolin-8-ylurea
CID 47219536

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-pyridinyl)methyl]-3-(2-methylquinolin-8-yl)urea?
The IUPAC name of 1-[(3-methyl-2-pyridinyl)methyl]-3-(2-methylquinolin-8-yl)urea (CID 56790764) is 1-[(3-methyl-2-pyridinyl)methyl]-3-(2-methylquinolin-8-yl)urea.
What is the SMILES notation for 1-[(3-methyl-2-pyridinyl)methyl]-3-(2-methylquinolin-8-yl)urea?
The canonical SMILES for 1-[(3-methyl-2-pyridinyl)methyl]-3-(2-methylquinolin-8-yl)urea is Cc1ccc2cccc(NC(=O)NCc3ncccc3C)c2n1.
What is the InChIKey of 1-[(3-methyl-2-pyridinyl)methyl]-3-(2-methylquinolin-8-yl)urea?
The InChIKey is JLVRNJGSKHTSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-5-4-10-19-16(12)11-20-18(23)22-15-7-3-6-14-9-8-13(2)21-17(14)15/h3-10H,11H2,1-2H3,(H2,20,22,23).
What are the key properties of 1-[(3-methyl-2-pyridinyl)methyl]-3-(2-methylquinolin-8-yl)urea?
1-[(3-methyl-2-pyridinyl)methyl]-3-(2-methylquinolin-8-yl)urea has a molecular weight of 306.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-pyridinyl)methyl]-3-(2-methylquinolin-8-yl)urea is sourced from PubChem (CID 56790764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).