1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea

C20H21N3O2 — CID 97212812

IUPAC1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea
SMILESCc1ccccc1[C@H](O)CNC(=O)NCc1cccc2cccnc12
InChIInChI=1S/C20H21N3O2/c1-14-6-2-3-10-17(14)18(24)13-23-20(25)22-12-16-8-4-7-15-9-5-11-21-19(15)16/h2-11,18,24H,12-13H2,1H3,(H2,22,23,25)/t18-/m1/s1
InChIKeyPLIHMYMCENFHNQ-GOSISDBHSA-N
MW335.41 g/mol
LogP3.08
Rot. Bonds5

About 1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea

1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea (PubChem CID 97212812) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea
PubChem CID97212812
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea
SMILESCc1ccccc1[C@H](O)CNC(=O)NCc1cccc2cccnc12
InChIInChI=1S/C20H21N3O2/c1-14-6-2-3-10-17(14)18(24)13-23-20(25)22-12-16-8-4-7-15-9-5-11-21-19(15)16/h2-11,18,24H,12-13H2,1H3,(H2,22,23,25)/t18-/m1/s1
InChIKeyPLIHMYMCENFHNQ-GOSISDBHSA-N
XLogP3.08
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea
CID 99785833
N-[1-(2-methylphenyl)ethyl]-2-quinolin-8-ylacetamide
CID 51320797
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea
CID 111454036
1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
CID 110909300
1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
CID 47470602
1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 96530805
1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea
CID 110909304
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111119591
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520
2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81428744

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea?
The IUPAC name of 1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea (CID 97212812) is 1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea.
What is the SMILES notation for 1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea?
The canonical SMILES for 1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea is Cc1ccccc1[C@H](O)CNC(=O)NCc1cccc2cccnc12.
What is the InChIKey of 1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea?
The InChIKey is PLIHMYMCENFHNQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-6-2-3-10-17(14)18(24)13-23-20(25)22-12-16-8-4-7-15-9-5-11-21-19(15)16/h2-11,18,24H,12-13H2,1H3,(H2,22,23,25)/t18-/m1/s1.
What are the key properties of 1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea?
1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea has a molecular weight of 335.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea is sourced from PubChem (CID 97212812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).