1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea

C16H16ClN3O — CID 63928941

IUPAC1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C16H16ClN3O/c17-12-4-7-13(8-5-12)19-16(21)20-14-6-3-11-2-1-9-18-15(11)10-14/h3-8,10,18H,1-2,9H2,(H2,19,20,21)
InChIKeyQDZFZPBFZPXTEF-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.34
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea

1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea (PubChem CID 63928941) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
PubChem CID63928941
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C16H16ClN3O/c17-12-4-7-13(8-5-12)19-16(21)20-14-6-3-11-2-1-9-18-15(11)10-14/h3-8,10,18H,1-2,9H2,(H2,19,20,21)
InChIKeyQDZFZPBFZPXTEF-UHFFFAOYSA-N
XLogP4.34
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 82877814
2,6-dichloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930601
3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63928507
1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
CID 107654114
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-ylcarbamoyl)benzamide
CID 11530352
3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide
CID 66482233
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopropane-1-carboxamide
CID 63928713
N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide
CID 102922274
5-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxamide
CID 104639273
2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide
CID 63931236
5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-3-carboxamide
CID 81485613
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930393

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea (CID 63928941) is 1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)NCCC2.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea?
The InChIKey is QDZFZPBFZPXTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-12-4-7-13(8-5-12)19-16(21)20-14-6-3-11-2-1-9-18-15(11)10-14/h3-8,10,18H,1-2,9H2,(H2,19,20,21).
What are the key properties of 1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea?
1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea has a molecular weight of 301.78 g/mol, XLogP of 4.34, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea is sourced from PubChem (CID 63928941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).