1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-4-yl)urea

C17H15ClN4O2 — CID 52945092

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-4-yl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2ncccc12
InChIInChI=1S/C17H15ClN4O2/c1-10-8-13(12-4-3-7-19-16(12)20-10)21-17(23)22-14-9-11(18)5-6-15(14)24-2/h3-9H,1-2H3,(H2,19,20,21,22,23)
InChIKeyANPBWIKLRHMGFH-UHFFFAOYSA-N
MW342.79 g/mol
LogP4.24
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-4-yl)urea

1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-4-yl)urea (PubChem CID 52945092) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-4-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-4-yl)urea
PubChem CID52945092
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-4-yl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2ncccc12
InChIInChI=1S/C17H15ClN4O2/c1-10-8-13(12-4-3-7-19-16(12)20-10)21-17(23)22-14-9-11(18)5-6-15(14)24-2/h3-9H,1-2H3,(H2,19,20,21,22,23)
InChIKeyANPBWIKLRHMGFH-UHFFFAOYSA-N
XLogP4.24
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea
CID 971831
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302630
1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
CID 39853453
1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea
CID 122303962
1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182579
1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108875486
N-(5-chloro-2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 110435164
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-methyl-3-pyridinyl)methyl]amino]acetamide
CID 75514741
1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 970503
1-(4-chloro-2-methoxyphenyl)-3-pyridin-2-ylurea
CID 51062921
N-(5-chloro-2-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 20879291
N-(5-chloro-2-methoxyphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237297

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-4-yl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-4-yl)urea (CID 52945092) is 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-4-yl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-4-yl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-4-yl)urea is COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2ncccc12.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-4-yl)urea?
The InChIKey is ANPBWIKLRHMGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-10-8-13(12-4-3-7-19-16(12)20-10)21-17(23)22-14-9-11(18)5-6-15(14)24-2/h3-9H,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-4-yl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-4-yl)urea has a molecular weight of 342.79 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-4-yl)urea is sourced from PubChem (CID 52945092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).