1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea

C19H19N3O3 — CID 95285871

IUPAC1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea
SMILESCOc1ccc([C@H](CO)NC(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C19H19N3O3/c1-25-15-9-7-13(8-10-15)17(12-23)22-19(24)21-16-6-2-4-14-5-3-11-20-18(14)16/h2-11,17,23H,12H2,1H3,(H2,21,22,24)/t17-/m0/s1
InChIKeyIDIKYIYRFLSMNC-KRWDZBQOSA-N
MW337.38 g/mol
LogP3.10
Rot. Bonds5

About 1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea

1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea (PubChem CID 95285871) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea
PubChem CID95285871
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea
SMILESCOc1ccc([C@H](CO)NC(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C19H19N3O3/c1-25-15-9-7-13(8-10-15)17(12-23)22-19(24)21-16-6-2-4-14-5-3-11-20-18(14)16/h2-11,17,23H,12H2,1H3,(H2,21,22,24)/t17-/m0/s1
InChIKeyIDIKYIYRFLSMNC-KRWDZBQOSA-N
XLogP3.10
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-3-phenyl-3-(quinolin-8-ylcarbamoylamino)propanoate
CID 95134563
ethyl (3R)-3-phenyl-3-(quinolin-8-ylcarbamoylamino)propanoate
CID 95288023
1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea
CID 97185687
1-[(1S)-2-methylsulfonyl-1-phenylethyl]-3-quinolin-8-ylurea
CID 97000980
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea
CID 55695740
2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide
CID 139200312
1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea
CID 95289623
N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide
CID 108508241
N-[1-(4-methoxyphenyl)ethyl]quinolin-8-amine
CID 43191660
4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 952487
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide
CID 51552903
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 78798433

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea?
The IUPAC name of 1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea (CID 95285871) is 1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea.
What is the SMILES notation for 1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea?
The canonical SMILES for 1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea is COc1ccc([C@H](CO)NC(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of 1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea?
The InChIKey is IDIKYIYRFLSMNC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-15-9-7-13(8-10-15)17(12-23)22-19(24)21-16-6-2-4-14-5-3-11-20-18(14)16/h2-11,17,23H,12H2,1H3,(H2,21,22,24)/t17-/m0/s1.
What are the key properties of 1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea?
1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea has a molecular weight of 337.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea is sourced from PubChem (CID 95285871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).