1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea;hydrochloride

C19H20ClN3O2 — CID 18475498

IUPAC1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea;hydrochloride
SMILESCCc1cc(NC(=O)Nc2ccnc3ccccc23)ccc1OC.Cl
InChIInChI=1S/C19H19N3O2.ClH/c1-3-13-12-14(8-9-18(13)24-2)21-19(23)22-17-10-11-20-16-7-5-4-6-15(16)17;/h4-12H,3H2,1-2H3,(H2,20,21,22,23);1H
InChIKeyDWRBOIMWKLQEMQ-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.87
Rot. Bonds4

About 1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea;hydrochloride

1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea;hydrochloride (PubChem CID 18475498) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea;hydrochloride.

Molecular Properties

Compound Name1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea;hydrochloride
PubChem CID18475498
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea;hydrochloride
SMILESCCc1cc(NC(=O)Nc2ccnc3ccccc23)ccc1OC.Cl
InChIInChI=1S/C19H19N3O2.ClH/c1-3-13-12-14(8-9-18(13)24-2)21-19(23)22-17-10-11-20-16-7-5-4-6-15(16)17;/h4-12H,3H2,1-2H3,(H2,20,21,22,23);1H
InChIKeyDWRBOIMWKLQEMQ-UHFFFAOYSA-N
XLogP4.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea
CID 25265637
6-Methoxy-4-pyridin-2-ylethynyl-4-trifluoromethyl-3,4-dihydro-1H-quinazolin-2-one
CID 478294
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
N2-(2-Methoxyphenethyl)-N4-methyl-N6-(quinolin-6-yl)-1,3,5-triazine-2,4,6-triamine
CID 24767924
1-[4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(4-quinolin-6-yloxyphenyl)urea
CID 134294499
N4-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine
CID 509545
Benzaldehyde, 4-methoxy-, (6-methoxy-4-quinolinyl)hydrazone
CID 24810637
Icr-174
CID 159669
LY-456236
CID 9926998
4-Amino-6-methoxyquinoline
CID 223614
N-n-heptyl-7-methoxytacrine hydrochloride
CID 10496398

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea;hydrochloride?
The IUPAC name of 1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea;hydrochloride (CID 18475498) is 1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea;hydrochloride.
What is the SMILES notation for 1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea;hydrochloride?
The canonical SMILES for 1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea;hydrochloride is CCc1cc(NC(=O)Nc2ccnc3ccccc23)ccc1OC.Cl.
What is the InChIKey of 1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea;hydrochloride?
The InChIKey is DWRBOIMWKLQEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2.ClH/c1-3-13-12-14(8-9-18(13)24-2)21-19(23)22-17-10-11-20-16-7-5-4-6-15(16)17;/h4-12H,3H2,1-2H3,(H2,20,21,22,23);1H.
What are the key properties of 1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea;hydrochloride?
1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea;hydrochloride has a molecular weight of 357.84 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea;hydrochloride is sourced from PubChem (CID 18475498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).