1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea

C13H17N3O — CID 62698159

IUPAC1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea
SMILESO=C(Nc1ccc2c(c1)CCCN2)NC1CC1
InChIInChI=1S/C13H17N3O/c17-13(15-10-3-4-10)16-11-5-6-12-9(8-11)2-1-7-14-12/h5-6,8,10,14H,1-4,7H2,(H2,15,16,17)
InChIKeyJKKWZFNSINYCFC-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.33
Rot. Bonds2

About 1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea

1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea (PubChem CID 62698159) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea
PubChem CID62698159
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea
SMILESO=C(Nc1ccc2c(c1)CCCN2)NC1CC1
InChIInChI=1S/C13H17N3O/c17-13(15-10-3-4-10)16-11-5-6-12-9(8-11)2-1-7-14-12/h5-6,8,10,14H,1-4,7H2,(H2,15,16,17)
InChIKeyJKKWZFNSINYCFC-UHFFFAOYSA-N
XLogP2.33
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide
CID 62633858
N-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
CID 119547205
1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 3271031
1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 47132834
2-(cyclopropylmethylamino)-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide
CID 122080484
3-cyclopentyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide
CID 62632415
N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide
CID 55138702
2-oxo-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazolidine-4-carboxamide
CID 63283396
N-(1,2,3,4-tetrahydroquinolin-6-yl)oxane-3-carboxamide
CID 63012221
N-(2,3-dihydro-1H-indol-5-yl)cyclobutanecarboxamide
CID 63252649
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea
CID 17249572
3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030616

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea?
The IUPAC name of 1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea (CID 62698159) is 1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea?
The canonical SMILES for 1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea is O=C(Nc1ccc2c(c1)CCCN2)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea?
The InChIKey is JKKWZFNSINYCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-13(15-10-3-4-10)16-11-5-6-12-9(8-11)2-1-7-14-12/h5-6,8,10,14H,1-4,7H2,(H2,15,16,17).
What are the key properties of 1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea?
1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea has a molecular weight of 231.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea is sourced from PubChem (CID 62698159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).