1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea

C21H20N4O3 — CID 95163705

IUPAC1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea
SMILESC[C@H](NC(=O)Nc1cccc2cccnc12)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C21H20N4O3/c1-14(16-6-2-8-17(13-16)25-11-12-28-21(25)27)23-20(26)24-18-9-3-5-15-7-4-10-22-19(15)18/h2-10,13-14H,11-12H2,1H3,(H2,23,24,26)/t14-/m0/s1
InChIKeyRKCHMSZESLKSMI-AWEZNQCLSA-N
MW376.42 g/mol
LogP4.07
Rot. Bonds4

About 1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea

1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea (PubChem CID 95163705) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea
PubChem CID95163705
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea
SMILESC[C@H](NC(=O)Nc1cccc2cccnc12)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C21H20N4O3/c1-14(16-6-2-8-17(13-16)25-11-12-28-21(25)27)23-20(26)24-18-9-3-5-15-7-4-10-22-19(15)18/h2-10,13-14H,11-12H2,1H3,(H2,23,24,26)/t14-/m0/s1
InChIKeyRKCHMSZESLKSMI-AWEZNQCLSA-N
XLogP4.07
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]urea
CID 97201711
(1R,2S,3S,4R)-3-[[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98475018
3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
CID 65295167
cis-(1R,2S)-2-(2,6-difluorophenyl)-N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 99251694
1-[(1S)-2-methylsulfonyl-1-phenylethyl]-3-quinolin-8-ylurea
CID 97000980
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 167971466
1-(8-hydroxyquinolin-7-yl)-3-[(1S)-1-phenylethyl]urea
CID 101117639
1-(2-morpholin-4-ylphenyl)-3-quinolin-8-ylurea
CID 108992558
1-[(1R)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-(1H-pyrazol-4-yl)urea
CID 129369386
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea
CID 55695740
N-quinolin-8-yl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511303
1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-quinolin-8-ylurea
CID 125166001

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea?
The IUPAC name of 1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea (CID 95163705) is 1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea.
What is the SMILES notation for 1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea?
The canonical SMILES for 1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea is C[C@H](NC(=O)Nc1cccc2cccnc12)c1cccc(N2CCOC2=O)c1.
What is the InChIKey of 1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea?
The InChIKey is RKCHMSZESLKSMI-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14(16-6-2-8-17(13-16)25-11-12-28-21(25)27)23-20(26)24-18-9-3-5-15-7-4-10-22-19(15)18/h2-10,13-14H,11-12H2,1H3,(H2,23,24,26)/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea?
1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea has a molecular weight of 376.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea is sourced from PubChem (CID 95163705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).