4-chloro-N-[(2S)-1-hydroxypropan-2-yl]quinoline-3-carboxamide

C13H13ClN2O2 — CID 44590733

IUPAC4-chloro-N-[(2S)-1-hydroxypropan-2-yl]quinoline-3-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cnc2ccccc2c1Cl
InChIInChI=1S/C13H13ClN2O2/c1-8(7-17)16-13(18)10-6-15-11-5-3-2-4-9(11)12(10)14/h2-6,8,17H,7H2,1H3,(H,16,18)/t8-/m0/s1
InChIKeyBTNPTVFEEXYQBG-QMMMGPOBSA-N
MW264.71 g/mol
LogP2.00
Rot. Bonds3

About 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]quinoline-3-carboxamide

4-chloro-N-[(2S)-1-hydroxypropan-2-yl]quinoline-3-carboxamide (PubChem CID 44590733) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-hydroxypropan-2-yl]quinoline-3-carboxamide
PubChem CID44590733
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-chloro-N-[(2S)-1-hydroxypropan-2-yl]quinoline-3-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cnc2ccccc2c1Cl
InChIInChI=1S/C13H13ClN2O2/c1-8(7-17)16-13(18)10-6-15-11-5-3-2-4-9(11)12(10)14/h2-6,8,17H,7H2,1H3,(H,16,18)/t8-/m0/s1
InChIKeyBTNPTVFEEXYQBG-QMMMGPOBSA-N
XLogP2.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]quinoline-3-carboxamide?
The IUPAC name of 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]quinoline-3-carboxamide (CID 44590733) is 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]quinoline-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]quinoline-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]quinoline-3-carboxamide is C[C@@H](CO)NC(=O)c1cnc2ccccc2c1Cl.
What is the InChIKey of 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]quinoline-3-carboxamide?
The InChIKey is BTNPTVFEEXYQBG-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8(7-17)16-13(18)10-6-15-11-5-3-2-4-9(11)12(10)14/h2-6,8,17H,7H2,1H3,(H,16,18)/t8-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]quinoline-3-carboxamide?
4-chloro-N-[(2S)-1-hydroxypropan-2-yl]quinoline-3-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]quinoline-3-carboxamide is sourced from PubChem (CID 44590733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).