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

C17H16N4O2 — CID 46947661

IUPAC1-(3-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-3-yl)urea
SMILESCOc1cccc(NC(=O)Nc2cc3cccnc3nc2C)c1
InChIInChI=1S/C17H16N4O2/c1-11-15(9-12-5-4-8-18-16(12)19-11)21-17(22)20-13-6-3-7-14(10-13)23-2/h3-10H,1-2H3,(H2,20,21,22)
InChIKeyMSLJRELHRGFYBL-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.59
Rot. Bonds3

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

1-(3-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-3-yl)urea (PubChem CID 46947661) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-3-yl)urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-3-yl)urea
PubChem CID46947661
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name1-(3-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-3-yl)urea
SMILESCOc1cccc(NC(=O)Nc2cc3cccnc3nc2C)c1
InChIInChI=1S/C17H16N4O2/c1-11-15(9-12-5-4-8-18-16(12)19-11)21-17(22)20-13-6-3-7-14(10-13)23-2/h3-10H,1-2H3,(H2,20,21,22)
InChIKeyMSLJRELHRGFYBL-UHFFFAOYSA-N
XLogP3.59
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 6464398
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea
CID 86001834
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
N-(3-methoxyphenyl)isoquinoline-3-carboxamide
CID 110859992
6-[(3-methoxyphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63642574
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 69014425
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444
butyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate
CID 11311488

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-3-yl)urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-3-yl)urea (CID 46947661) is 1-(3-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-3-yl)urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-3-yl)urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-3-yl)urea is COc1cccc(NC(=O)Nc2cc3cccnc3nc2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-3-yl)urea?
The InChIKey is MSLJRELHRGFYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-15(9-12-5-4-8-18-16(12)19-11)21-17(22)20-13-6-3-7-14(10-13)23-2/h3-10H,1-2H3,(H2,20,21,22).
What are the key properties of 1-(3-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-3-yl)urea?
1-(3-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-3-yl)urea has a molecular weight of 308.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-3-yl)urea is sourced from PubChem (CID 46947661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).