7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide

C18H21N7O2 — CID 129276274

IUPAC7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCN(c4nnnn4C)CC3)cnc2c1
InChIInChI=1S/C18H21N7O2/c1-24-18(21-22-23-24)25-7-5-14(6-8-25)20-17(26)13-9-12-3-4-15(27-2)10-16(12)19-11-13/h3-4,9-11,14H,5-8H2,1-2H3,(H,20,26)
InChIKeyORJFHSSUJUZPLN-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.17
Rot. Bonds4

About 7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide

7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide (PubChem CID 129276274) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide
PubChem CID129276274
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCN(c4nnnn4C)CC3)cnc2c1
InChIInChI=1S/C18H21N7O2/c1-24-18(21-22-23-24)25-7-5-14(6-8-25)20-17(26)13-9-12-3-4-15(27-2)10-16(12)19-11-13/h3-4,9-11,14H,5-8H2,1-2H3,(H,20,26)
InChIKeyORJFHSSUJUZPLN-UHFFFAOYSA-N
XLogP1.17
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide (CID 129276274) is 7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide is COc1ccc2cc(C(=O)NC3CCN(c4nnnn4C)CC3)cnc2c1.
What is the InChIKey of 7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide?
The InChIKey is ORJFHSSUJUZPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-24-18(21-22-23-24)25-7-5-14(6-8-25)20-17(26)13-9-12-3-4-15(27-2)10-16(12)19-11-13/h3-4,9-11,14H,5-8H2,1-2H3,(H,20,26).
What are the key properties of 7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide?
7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide is sourced from PubChem (CID 129276274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).