1-[(3-chloroquinoxalin-2-yl)amino]-4-phenylbutan-2-ol

C18H18ClN3O — CID 86645890

IUPAC1-[(3-chloroquinoxalin-2-yl)amino]-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)CNc1nc2ccccc2nc1Cl
InChIInChI=1S/C18H18ClN3O/c19-17-18(22-16-9-5-4-8-15(16)21-17)20-12-14(23)11-10-13-6-2-1-3-7-13/h1-9,14,23H,10-12H2,(H,20,22)
InChIKeyXZXCUIGBVHBCTF-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.69
Rot. Bonds6

About 1-[(3-chloroquinoxalin-2-yl)amino]-4-phenylbutan-2-ol

1-[(3-chloroquinoxalin-2-yl)amino]-4-phenylbutan-2-ol (PubChem CID 86645890) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 1-[(3-chloroquinoxalin-2-yl)amino]-4-phenylbutan-2-ol.

Molecular Properties

Compound Name1-[(3-chloroquinoxalin-2-yl)amino]-4-phenylbutan-2-ol
PubChem CID86645890
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name1-[(3-chloroquinoxalin-2-yl)amino]-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)CNc1nc2ccccc2nc1Cl
InChIInChI=1S/C18H18ClN3O/c19-17-18(22-16-9-5-4-8-15(16)21-17)20-12-14(23)11-10-13-6-2-1-3-7-13/h1-9,14,23H,10-12H2,(H,20,22)
InChIKeyXZXCUIGBVHBCTF-UHFFFAOYSA-N
XLogP3.69
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
3-[[(3-chloroquinoxalin-2-yl)amino]methyl]benzoic acid
CID 108778334
1-(4-benzylanilino)-4-(4-fluorophenyl)butan-2-ol
CID 68658256
3-chloro-N-prop-2-enylquinoxalin-2-amine
CID 10775263
2-[(3-chloroquinoxalin-2-yl)amino]acetyl iodide
CID 89193446
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
2-[(3-chloroquinoxalin-2-yl)amino]-2-hydrazinylethanol
CID 123251767
3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine
CID 23770473
1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol
CID 159072005
(1R)-1-(methylamino)-3-phenylpropan-1-ol
CID 67675162
(3R)-1-phenyl-5-trimethylsilylpentan-3-ol
CID 11601130
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-4-phenylbutan-2-ol
CID 22640950

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloroquinoxalin-2-yl)amino]-4-phenylbutan-2-ol?
The IUPAC name of 1-[(3-chloroquinoxalin-2-yl)amino]-4-phenylbutan-2-ol (CID 86645890) is 1-[(3-chloroquinoxalin-2-yl)amino]-4-phenylbutan-2-ol.
What is the SMILES notation for 1-[(3-chloroquinoxalin-2-yl)amino]-4-phenylbutan-2-ol?
The canonical SMILES for 1-[(3-chloroquinoxalin-2-yl)amino]-4-phenylbutan-2-ol is OC(CCc1ccccc1)CNc1nc2ccccc2nc1Cl.
What is the InChIKey of 1-[(3-chloroquinoxalin-2-yl)amino]-4-phenylbutan-2-ol?
The InChIKey is XZXCUIGBVHBCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c19-17-18(22-16-9-5-4-8-15(16)21-17)20-12-14(23)11-10-13-6-2-1-3-7-13/h1-9,14,23H,10-12H2,(H,20,22).
What are the key properties of 1-[(3-chloroquinoxalin-2-yl)amino]-4-phenylbutan-2-ol?
1-[(3-chloroquinoxalin-2-yl)amino]-4-phenylbutan-2-ol has a molecular weight of 327.82 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloroquinoxalin-2-yl)amino]-4-phenylbutan-2-ol is sourced from PubChem (CID 86645890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).