2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile

C15H15N3O — CID 99857872

IUPAC2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile
SMILESN#Cc1cc(N[C@@H]2CCC[C@H]2O)nc2ccccc12
InChIInChI=1S/C15H15N3O/c16-9-10-8-15(18-13-6-3-7-14(13)19)17-12-5-2-1-4-11(10)12/h1-2,4-5,8,13-14,19H,3,6-7H2,(H,17,18)/t13-,14-/m1/s1
InChIKeyKVPPVSCVSQXJGY-ZIAGYGMSSA-N
MW253.30 g/mol
LogP2.43
Rot. Bonds2

About 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile

2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile (PubChem CID 99857872) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile
PubChem CID99857872
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile
SMILESN#Cc1cc(N[C@@H]2CCC[C@H]2O)nc2ccccc12
InChIInChI=1S/C15H15N3O/c16-9-10-8-15(18-13-6-3-7-14(13)19)17-12-5-2-1-4-11(10)12/h1-2,4-5,8,13-14,19H,3,6-7H2,(H,17,18)/t13-,14-/m1/s1
InChIKeyKVPPVSCVSQXJGY-ZIAGYGMSSA-N
XLogP2.43
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile?
The IUPAC name of 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile (CID 99857872) is 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile is N#Cc1cc(N[C@@H]2CCC[C@H]2O)nc2ccccc12.
What is the InChIKey of 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile?
The InChIKey is KVPPVSCVSQXJGY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H15N3O/c16-9-10-8-15(18-13-6-3-7-14(13)19)17-12-5-2-1-4-11(10)12/h1-2,4-5,8,13-14,19H,3,6-7H2,(H,17,18)/t13-,14-/m1/s1.
What are the key properties of 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile?
2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile is sourced from PubChem (CID 99857872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).