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

C19H19N3O2 — CID 18475499

IUPAC1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea
SMILESCCc1cc(NC(=O)Nc2ccnc3ccccc23)ccc1OC
InChIInChI=1S/C19H19N3O2/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)
InChIKeyTZFAYCBEHQXPLD-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.45
Rot. Bonds4

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

1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea (PubChem CID 18475499) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea.

Molecular Properties

Compound Name1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea
PubChem CID18475499
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea
SMILESCCc1cc(NC(=O)Nc2ccnc3ccccc23)ccc1OC
InChIInChI=1S/C19H19N3O2/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)
InChIKeyTZFAYCBEHQXPLD-UHFFFAOYSA-N
XLogP4.45
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 164620319
1-quinolin-4-yl-3-quinolin-6-ylurea
CID 18475500
1-(2-methyl-1,3-benzoxazol-6-yl)-3-quinolin-4-ylurea;hydrochloride
CID 18475580
1-(1-methylindol-5-yl)-3-quinolin-4-ylurea;hydrochloride
CID 18475688
N-(4-methoxy-3-methylphenyl)quinolin-4-amine
CID 142581718
2-(2-ethylphenoxy)-N-quinolin-5-ylacetamide
CID 2524325
N-quinolin-5-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8873348
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-ethylbenzamide
CID 59864354
1-[2-[1-[(2,5-dimethoxyphenyl)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3-quinolin-4-ylurea
CID 10281037
1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea
CID 166327902
1-cyano-N-(3-ethyl-4-methoxyphenyl)formamide
CID 115171848
2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide
CID 55914859

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea?
The IUPAC name of 1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea (CID 18475499) is 1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea.
What is the SMILES notation for 1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea?
The canonical SMILES for 1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea is CCc1cc(NC(=O)Nc2ccnc3ccccc23)ccc1OC.
What is the InChIKey of 1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea?
The InChIKey is TZFAYCBEHQXPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/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).
What are the key properties of 1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea?
1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea has a molecular weight of 321.38 g/mol, XLogP of 4.45, 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 is sourced from PubChem (CID 18475499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).