1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea

C21H17N3O — CID 175700641

IUPAC1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea
SMILESO=C(NCc1cccc2ccccc12)Nc1cnc2ccccc2c1
InChIInChI=1S/C21H17N3O/c25-21(24-18-12-16-7-2-4-11-20(16)22-14-18)23-13-17-9-5-8-15-6-1-3-10-19(15)17/h1-12,14H,13H2,(H2,23,24,25)
InChIKeyPHKNODOJEORMKO-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.71
Rot. Bonds3

About 1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea

1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea (PubChem CID 175700641) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea
PubChem CID175700641
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea
SMILESO=C(NCc1cccc2ccccc12)Nc1cnc2ccccc2c1
InChIInChI=1S/C21H17N3O/c25-21(24-18-12-16-7-2-4-11-20(16)22-14-18)23-13-17-9-5-8-15-6-1-3-10-19(15)17/h1-12,14H,13H2,(H2,23,24,25)
InChIKeyPHKNODOJEORMKO-UHFFFAOYSA-N
XLogP4.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-3-ylurea
CID 175700636
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-(2-methoxyethyl)-3-quinolin-3-ylurea
CID 175700628
1-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-3-quinolin-3-ylurea
CID 155968125
1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea
CID 140892825
2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide
CID 62806519
[1-naphthalen-1-yl-2-oxo-2-(quinolin-3-ylamino)ethyl]phosphonic acid
CID 66872024
1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea
CID 2239305
1-(naphthalen-1-ylmethyl)-3-(4-nitrophenyl)urea
CID 112840095
2-(4-acetamidophenyl)-N-quinolin-3-ylacetamide
CID 18146526
1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea
CID 16645779
1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 16645769

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea (CID 175700641) is 1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea is O=C(NCc1cccc2ccccc12)Nc1cnc2ccccc2c1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea?
The InChIKey is PHKNODOJEORMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c25-21(24-18-12-16-7-2-4-11-20(16)22-14-18)23-13-17-9-5-8-15-6-1-3-10-19(15)17/h1-12,14H,13H2,(H2,23,24,25).
What are the key properties of 1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea?
1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea has a molecular weight of 327.39 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea is sourced from PubChem (CID 175700641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).