4-(7-chloroquinolin-4-yl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol

C22H23ClN2O — CID 135888232

IUPAC4-(7-chloroquinolin-4-yl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol
SMILESC[C@H]1CCCCN1Cc1cc(-c2ccnc3cc(Cl)ccc23)ccc1O
InChIInChI=1S/C22H23ClN2O/c1-15-4-2-3-11-25(15)14-17-12-16(5-8-22(17)26)19-9-10-24-21-13-18(23)6-7-20(19)21/h5-10,12-13,15,26H,2-4,11,14H2,1H3/t15-/m0/s1
InChIKeyYUVFHXMHAVVPMS-HNNXBMFYSA-N
MW366.89 g/mol
LogP5.64
Rot. Bonds3

About 4-(7-chloroquinolin-4-yl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol

4-(7-chloroquinolin-4-yl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol (PubChem CID 135888232) has the molecular formula C22H23ClN2O and a molecular weight of 366.89 g/mol. Its IUPAC name is 4-(7-chloroquinolin-4-yl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-(7-chloroquinolin-4-yl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol
PubChem CID135888232
Molecular FormulaC22H23ClN2O
Molecular Weight366.89 g/mol
Exact Mass366.15
IUPAC Name4-(7-chloroquinolin-4-yl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol
SMILESC[C@H]1CCCCN1Cc1cc(-c2ccnc3cc(Cl)ccc23)ccc1O
InChIInChI=1S/C22H23ClN2O/c1-15-4-2-3-11-25(15)14-17-12-16(5-8-22(17)26)19-9-10-24-21-13-18(23)6-7-20(19)21/h5-10,12-13,15,26H,2-4,11,14H2,1H3/t15-/m0/s1
InChIKeyYUVFHXMHAVVPMS-HNNXBMFYSA-N
XLogP5.64
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.89
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloroquinolin-4-yl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol?
The IUPAC name of 4-(7-chloroquinolin-4-yl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol (CID 135888232) is 4-(7-chloroquinolin-4-yl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-(7-chloroquinolin-4-yl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol?
The canonical SMILES for 4-(7-chloroquinolin-4-yl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol is C[C@H]1CCCCN1Cc1cc(-c2ccnc3cc(Cl)ccc23)ccc1O.
What is the InChIKey of 4-(7-chloroquinolin-4-yl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol?
The InChIKey is YUVFHXMHAVVPMS-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23ClN2O/c1-15-4-2-3-11-25(15)14-17-12-16(5-8-22(17)26)19-9-10-24-21-13-18(23)6-7-20(19)21/h5-10,12-13,15,26H,2-4,11,14H2,1H3/t15-/m0/s1.
What are the key properties of 4-(7-chloroquinolin-4-yl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol?
4-(7-chloroquinolin-4-yl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol has a molecular weight of 366.89 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloroquinolin-4-yl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol is sourced from PubChem (CID 135888232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).