1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-(cyclopropylmethyl)urea

C14H14ClN3O2 — CID 6490418

IUPAC1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-(cyclopropylmethyl)urea
SMILESO=C(NCC1CC1)Nc1c[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C14H14ClN3O2/c15-9-3-4-10-11(5-9)16-7-12(13(10)19)18-14(20)17-6-8-1-2-8/h3-5,7-8H,1-2,6H2,(H,16,19)(H2,17,18,20)
InChIKeyZROWXNRTCOOQSA-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.71
Rot. Bonds3

About 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-(cyclopropylmethyl)urea

1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-(cyclopropylmethyl)urea (PubChem CID 6490418) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-(cyclopropylmethyl)urea.

Molecular Properties

Compound Name1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-(cyclopropylmethyl)urea
PubChem CID6490418
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-(cyclopropylmethyl)urea
SMILESO=C(NCC1CC1)Nc1c[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C14H14ClN3O2/c15-9-3-4-10-11(5-9)16-7-12(13(10)19)18-14(20)17-6-8-1-2-8/h3-5,7-8H,1-2,6H2,(H,16,19)(H2,17,18,20)
InChIKeyZROWXNRTCOOQSA-UHFFFAOYSA-N
XLogP2.71
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

7-Chloro-4-hydroxyquinoline
CID 66593
7-Chloro-2-methylquinolin-4-ol
CID 761550
2-[[2-(4-Chlorophenyl)-2-oxoethyl]amino]benzamide
CID 2796987
4(1H)-Quinolinone, 5,7-dichloro-
CID 2736001
4-[7-chloro-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-N-[2-(1-cyclohexenyl)ethyl]butanamide
CID 9550820
7-Chloro-2,3-dihydro-4-quinolone
CID 88974
2-{[3-(4-Chlorophenyl)-3-oxo-1-propen-1-yl]amino}benzamide
CID 2186728
N-(cyclopropylmethyl)-2-[(3,5-dichlorophenyl)carbamoylamino]benzamide
CID 2812226
N-[4-(2-acetylanilino)-4-oxobutyl]-4-chlorobenzamide
CID 4827116
N-(3-aminopropyl)-7-chloro-4-oxo-1-(3-phenylpropyl)quinoline-3-carboxamide;hydrochloride
CID 137652417
N-[3-(4-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide
CID 4909129
1-(7-Chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-3-(4-dimethylamino-phenyl)-urea
CID 71208233

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-(cyclopropylmethyl)urea?
The IUPAC name of 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-(cyclopropylmethyl)urea (CID 6490418) is 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-(cyclopropylmethyl)urea.
What is the SMILES notation for 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-(cyclopropylmethyl)urea?
The canonical SMILES for 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-(cyclopropylmethyl)urea is O=C(NCC1CC1)Nc1c[nH]c2cc(Cl)ccc2c1=O.
What is the InChIKey of 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-(cyclopropylmethyl)urea?
The InChIKey is ZROWXNRTCOOQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-9-3-4-10-11(5-9)16-7-12(13(10)19)18-14(20)17-6-8-1-2-8/h3-5,7-8H,1-2,6H2,(H,16,19)(H2,17,18,20).
What are the key properties of 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-(cyclopropylmethyl)urea?
1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-(cyclopropylmethyl)urea has a molecular weight of 291.74 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-(cyclopropylmethyl)urea is sourced from PubChem (CID 6490418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).