1-(3-chloro-4-methoxyphenyl)-3-quinolin-4-ylurea

C17H14ClN3O2 — CID 18475610

IUPAC1-(3-chloro-4-methoxyphenyl)-3-quinolin-4-ylurea
SMILESCOc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1Cl
InChIInChI=1S/C17H14ClN3O2/c1-23-16-7-6-11(10-13(16)18)20-17(22)21-15-8-9-19-14-5-3-2-4-12(14)15/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyCKLLFJCTJGJATM-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.54
Rot. Bonds3

About 1-(3-chloro-4-methoxyphenyl)-3-quinolin-4-ylurea

1-(3-chloro-4-methoxyphenyl)-3-quinolin-4-ylurea (PubChem CID 18475610) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-quinolin-4-ylurea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-quinolin-4-ylurea
PubChem CID18475610
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-quinolin-4-ylurea
SMILESCOc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1Cl
InChIInChI=1S/C17H14ClN3O2/c1-23-16-7-6-11(10-13(16)18)20-17(22)21-15-8-9-19-14-5-3-2-4-12(14)15/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyCKLLFJCTJGJATM-UHFFFAOYSA-N
XLogP4.54
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-quinolin-4-ylurea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-quinolin-4-ylurea (CID 18475610) is 1-(3-chloro-4-methoxyphenyl)-3-quinolin-4-ylurea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-quinolin-4-ylurea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-quinolin-4-ylurea is COc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-quinolin-4-ylurea?
The InChIKey is CKLLFJCTJGJATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-23-16-7-6-11(10-13(16)18)20-17(22)21-15-8-9-19-14-5-3-2-4-12(14)15/h2-10H,1H3,(H2,19,20,21,22).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-quinolin-4-ylurea?
1-(3-chloro-4-methoxyphenyl)-3-quinolin-4-ylurea has a molecular weight of 327.77 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-quinolin-4-ylurea is sourced from PubChem (CID 18475610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).