1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea

C18H21N5O — CID 136563591

IUPAC1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea
SMILESCC(C)C(NC(=O)Nc1ccc2ccccc2n1)c1cnn(C)c1
InChIInChI=1S/C18H21N5O/c1-12(2)17(14-10-19-23(3)11-14)22-18(24)21-16-9-8-13-6-4-5-7-15(13)20-16/h4-12,17H,1-3H3,(H2,20,21,22,24)
InChIKeyJXRKLSSMJMHNNQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.49
Rot. Bonds4

About 1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea

1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea (PubChem CID 136563591) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea.

Molecular Properties

Compound Name1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea
PubChem CID136563591
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea
SMILESCC(C)C(NC(=O)Nc1ccc2ccccc2n1)c1cnn(C)c1
InChIInChI=1S/C18H21N5O/c1-12(2)17(14-10-19-23(3)11-14)22-18(24)21-16-9-8-13-6-4-5-7-15(13)20-16/h4-12,17H,1-3H3,(H2,20,21,22,24)
InChIKeyJXRKLSSMJMHNNQ-UHFFFAOYSA-N
XLogP3.49
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea?
The IUPAC name of 1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea (CID 136563591) is 1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea.
What is the SMILES notation for 1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea?
The canonical SMILES for 1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea is CC(C)C(NC(=O)Nc1ccc2ccccc2n1)c1cnn(C)c1.
What is the InChIKey of 1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea?
The InChIKey is JXRKLSSMJMHNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12(2)17(14-10-19-23(3)11-14)22-18(24)21-16-9-8-13-6-4-5-7-15(13)20-16/h4-12,17H,1-3H3,(H2,20,21,22,24).
What are the key properties of 1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea?
1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea has a molecular weight of 323.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea is sourced from PubChem (CID 136563591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).