[2-(2-chlorophenyl)quinolin-4-yl]-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

C22H19ClN6O2 — CID 154863997

IUPAC[2-(2-chlorophenyl)quinolin-4-yl]-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2Cl)nc2ccccc12)N1CCC(O)(c2nn[nH]n2)CC1
InChIInChI=1S/C22H19ClN6O2/c23-17-7-3-1-6-15(17)19-13-16(14-5-2-4-8-18(14)24-19)20(30)29-11-9-22(31,10-12-29)21-25-27-28-26-21/h1-8,13,31H,9-12H2,(H,25,26,27,28)
InChIKeyNQCSYKWPESBCMI-UHFFFAOYSA-N
MW434.89 g/mol
LogP3.19
Rot. Bonds3

About [2-(2-chlorophenyl)quinolin-4-yl]-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

[2-(2-chlorophenyl)quinolin-4-yl]-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 154863997) has the molecular formula C22H19ClN6O2 and a molecular weight of 434.89 g/mol. Its IUPAC name is [2-(2-chlorophenyl)quinolin-4-yl]-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)quinolin-4-yl]-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID154863997
Molecular FormulaC22H19ClN6O2
Molecular Weight434.89 g/mol
Exact Mass434.13
IUPAC Name[2-(2-chlorophenyl)quinolin-4-yl]-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2Cl)nc2ccccc12)N1CCC(O)(c2nn[nH]n2)CC1
InChIInChI=1S/C22H19ClN6O2/c23-17-7-3-1-6-15(17)19-13-16(14-5-2-4-8-18(14)24-19)20(30)29-11-9-22(31,10-12-29)21-25-27-28-26-21/h1-8,13,31H,9-12H2,(H,25,26,27,28)
InChIKeyNQCSYKWPESBCMI-UHFFFAOYSA-N
XLogP3.19
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.89
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)quinolin-4-yl]-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(2-chlorophenyl)quinolin-4-yl]-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (CID 154863997) is [2-(2-chlorophenyl)quinolin-4-yl]-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(2-chlorophenyl)quinolin-4-yl]-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(2-chlorophenyl)quinolin-4-yl]-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is O=C(c1cc(-c2ccccc2Cl)nc2ccccc12)N1CCC(O)(c2nn[nH]n2)CC1.
What is the InChIKey of [2-(2-chlorophenyl)quinolin-4-yl]-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is NQCSYKWPESBCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O2/c23-17-7-3-1-6-15(17)19-13-16(14-5-2-4-8-18(14)24-19)20(30)29-11-9-22(31,10-12-29)21-25-27-28-26-21/h1-8,13,31H,9-12H2,(H,25,26,27,28).
What are the key properties of [2-(2-chlorophenyl)quinolin-4-yl]-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
[2-(2-chlorophenyl)quinolin-4-yl]-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 434.89 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)quinolin-4-yl]-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 154863997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).