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

C18H19F2N7O2 — CID 129247462

IUPAC7-(difluoromethoxy)-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide
SMILESCn1nnnc1N1CCC(NC(=O)c2cnc3cc(OC(F)F)ccc3c2)CC1
InChIInChI=1S/C18H19F2N7O2/c1-26-18(23-24-25-26)27-6-4-13(5-7-27)22-16(28)12-8-11-2-3-14(29-17(19)20)9-15(11)21-10-12/h2-3,8-10,13,17H,4-7H2,1H3,(H,22,28)
InChIKeyMULBRCOFANWGJX-UHFFFAOYSA-N
MW403.39 g/mol
LogP1.76
Rot. Bonds5

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

7-(difluoromethoxy)-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide (PubChem CID 129247462) has the molecular formula C18H19F2N7O2 and a molecular weight of 403.39 g/mol. Its IUPAC name is 7-(difluoromethoxy)-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethoxy)-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide
PubChem CID129247462
Molecular FormulaC18H19F2N7O2
Molecular Weight403.39 g/mol
Exact Mass403.16
IUPAC Name7-(difluoromethoxy)-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide
SMILESCn1nnnc1N1CCC(NC(=O)c2cnc3cc(OC(F)F)ccc3c2)CC1
InChIInChI=1S/C18H19F2N7O2/c1-26-18(23-24-25-26)27-6-4-13(5-7-27)22-16(28)12-8-11-2-3-14(29-17(19)20)9-15(11)21-10-12/h2-3,8-10,13,17H,4-7H2,1H3,(H,22,28)
InChIKeyMULBRCOFANWGJX-UHFFFAOYSA-N
XLogP1.76
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide?
The IUPAC name of 7-(difluoromethoxy)-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide (CID 129247462) is 7-(difluoromethoxy)-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide.
What is the SMILES notation for 7-(difluoromethoxy)-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide?
The canonical SMILES for 7-(difluoromethoxy)-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide is Cn1nnnc1N1CCC(NC(=O)c2cnc3cc(OC(F)F)ccc3c2)CC1.
What is the InChIKey of 7-(difluoromethoxy)-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide?
The InChIKey is MULBRCOFANWGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7O2/c1-26-18(23-24-25-26)27-6-4-13(5-7-27)22-16(28)12-8-11-2-3-14(29-17(19)20)9-15(11)21-10-12/h2-3,8-10,13,17H,4-7H2,1H3,(H,22,28).
What are the key properties of 7-(difluoromethoxy)-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide?
7-(difluoromethoxy)-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide is sourced from PubChem (CID 129247462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).