1-(3,5-dichlorophenyl)-3-quinolin-4-ylurea;hydrochloride

C16H12Cl3N3O — CID 18475668

IUPAC1-(3,5-dichlorophenyl)-3-quinolin-4-ylurea;hydrochloride
SMILESCl.O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccnc2ccccc12
InChIInChI=1S/C16H11Cl2N3O.ClH/c17-10-7-11(18)9-12(8-10)20-16(22)21-15-5-6-19-14-4-2-1-3-13(14)15;/h1-9H,(H2,19,20,21,22);1H
InChIKeyCCJNNJXOOWNYMB-UHFFFAOYSA-N
MW368.65 g/mol
LogP5.61
Rot. Bonds2

About 1-(3,5-dichlorophenyl)-3-quinolin-4-ylurea;hydrochloride

1-(3,5-dichlorophenyl)-3-quinolin-4-ylurea;hydrochloride (PubChem CID 18475668) has the molecular formula C16H12Cl3N3O and a molecular weight of 368.65 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-quinolin-4-ylurea;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-quinolin-4-ylurea;hydrochloride
PubChem CID18475668
Molecular FormulaC16H12Cl3N3O
Molecular Weight368.65 g/mol
Exact Mass367.00
IUPAC Name1-(3,5-dichlorophenyl)-3-quinolin-4-ylurea;hydrochloride
SMILESCl.O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccnc2ccccc12
InChIInChI=1S/C16H11Cl2N3O.ClH/c17-10-7-11(18)9-12(8-10)20-16(22)21-15-5-6-19-14-4-2-1-3-13(14)15;/h1-9H,(H2,19,20,21,22);1H
InChIKeyCCJNNJXOOWNYMB-UHFFFAOYSA-N
XLogP5.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Chloroquine
CID 2719
(+-)-Desethylchloroquine
CID 95478
4-Amino-7-chloroquinoline
CID 94711
Bisdesethylchloroquine
CID 122672
Sontoquine
CID 66553
(-)-Chloroquine
CID 444810
4-(3-Chloroanilino)quinazoline
CID 128872
(+)-Chloroquine
CID 639540
SB 215505
CID 10449757
7-Chloro-4-(piperazin-1-yl)quinoline
CID 738389
7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine
CID 4791782
4-amino-7-chloroquinoline (ACQ)-based compound, 6
CID 221208

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-quinolin-4-ylurea;hydrochloride?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-quinolin-4-ylurea;hydrochloride (CID 18475668) is 1-(3,5-dichlorophenyl)-3-quinolin-4-ylurea;hydrochloride.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-quinolin-4-ylurea;hydrochloride?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-quinolin-4-ylurea;hydrochloride is Cl.O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccnc2ccccc12.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-quinolin-4-ylurea;hydrochloride?
The InChIKey is CCJNNJXOOWNYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O.ClH/c17-10-7-11(18)9-12(8-10)20-16(22)21-15-5-6-19-14-4-2-1-3-13(14)15;/h1-9H,(H2,19,20,21,22);1H.
What are the key properties of 1-(3,5-dichlorophenyl)-3-quinolin-4-ylurea;hydrochloride?
1-(3,5-dichlorophenyl)-3-quinolin-4-ylurea;hydrochloride has a molecular weight of 368.65 g/mol, XLogP of 5.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-quinolin-4-ylurea;hydrochloride is sourced from PubChem (CID 18475668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).