6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile

C17H14ClN3O2 — CID 133490796

IUPAC6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile
SMILESN#Cc1cc(NC(CCO)c2ccco2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H14ClN3O2/c18-12-3-4-14-13(9-12)11(10-19)8-17(20-14)21-15(5-6-22)16-2-1-7-23-16/h1-4,7-9,15,22H,5-6H2,(H,20,21)
InChIKeyCUGICRLORBGKPN-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.89
Rot. Bonds5

About 6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile

6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile (PubChem CID 133490796) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile
PubChem CID133490796
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile
SMILESN#Cc1cc(NC(CCO)c2ccco2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H14ClN3O2/c18-12-3-4-14-13(9-12)11(10-19)8-17(20-14)21-15(5-6-22)16-2-1-7-23-16/h1-4,7-9,15,22H,5-6H2,(H,20,21)
InChIKeyCUGICRLORBGKPN-UHFFFAOYSA-N
XLogP3.89
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-6-carbonitrile
CID 133493791
6-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]quinoline-4-carbonitrile
CID 133434714
(2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide
CID 99783817
6-chloro-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]quinoline-4-carbonitrile
CID 133429186
methyl 3-[(6-chloro-4-cyanoquinolin-2-yl)amino]hexanoate
CID 133444283
6-chloro-2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]quinoline-4-carbonitrile
CID 133427882
3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 133490704
3-anilino-3-(furan-2-yl)propan-1-ol
CID 83821736
6-chloro-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]quinoline-4-carbonitrile
CID 133337280
3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide
CID 133304285
5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile
CID 62494326
6-chloro-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]quinoline-4-carbonitrile
CID 133428808

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile?
The IUPAC name of 6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile (CID 133490796) is 6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile.
What is the SMILES notation for 6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile?
The canonical SMILES for 6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile is N#Cc1cc(NC(CCO)c2ccco2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile?
The InChIKey is CUGICRLORBGKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-12-3-4-14-13(9-12)11(10-19)8-17(20-14)21-15(5-6-22)16-2-1-7-23-16/h1-4,7-9,15,22H,5-6H2,(H,20,21).
What are the key properties of 6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile?
6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile has a molecular weight of 327.77 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile is sourced from PubChem (CID 133490796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).