1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

C19H22N6O2 — CID 56745418

IUPAC1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESCc1ccc2cc(C3(O)CCN(C(=O)CCn4cnnn4)CC3)ccc2n1
InChIInChI=1S/C19H22N6O2/c1-14-2-3-15-12-16(4-5-17(15)21-14)19(27)7-10-24(11-8-19)18(26)6-9-25-13-20-22-23-25/h2-5,12-13,27H,6-11H2,1H3
InChIKeyQFPYZCWUOQPCSZ-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.43
Rot. Bonds4

About 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (PubChem CID 56745418) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
PubChem CID56745418
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESCc1ccc2cc(C3(O)CCN(C(=O)CCn4cnnn4)CC3)ccc2n1
InChIInChI=1S/C19H22N6O2/c1-14-2-3-15-12-16(4-5-17(15)21-14)19(27)7-10-24(11-8-19)18(26)6-9-25-13-20-22-23-25/h2-5,12-13,27H,6-11H2,1H3
InChIKeyQFPYZCWUOQPCSZ-UHFFFAOYSA-N
XLogP1.43
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (CID 56745418) is 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is Cc1ccc2cc(C3(O)CCN(C(=O)CCn4cnnn4)CC3)ccc2n1.
What is the InChIKey of 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The InChIKey is QFPYZCWUOQPCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-14-2-3-15-12-16(4-5-17(15)21-14)19(27)7-10-24(11-8-19)18(26)6-9-25-13-20-22-23-25/h2-5,12-13,27H,6-11H2,1H3.
What are the key properties of 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one has a molecular weight of 366.43 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 56745418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).