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

C18H18F3N7O2 — CID 155538303

IUPACN-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-7-(trifluoromethoxy)quinoline-3-carboxamide
SMILESCn1nnnc1N1CCC(NC(=O)c2cnc3cc(OC(F)(F)F)ccc3c2)CC1
InChIInChI=1S/C18H18F3N7O2/c1-27-17(24-25-26-27)28-6-4-13(5-7-28)23-16(29)12-8-11-2-3-14(30-18(19,20)21)9-15(11)22-10-12/h2-3,8-10,13H,4-7H2,1H3,(H,23,29)
InChIKeyLXBBSPOGIFDDGJ-UHFFFAOYSA-N
MW421.38 g/mol
LogP2.06
Rot. Bonds4

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

N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-7-(trifluoromethoxy)quinoline-3-carboxamide (PubChem CID 155538303) has the molecular formula C18H18F3N7O2 and a molecular weight of 421.38 g/mol. Its IUPAC name is N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-7-(trifluoromethoxy)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-7-(trifluoromethoxy)quinoline-3-carboxamide
PubChem CID155538303
Molecular FormulaC18H18F3N7O2
Molecular Weight421.38 g/mol
Exact Mass421.15
IUPAC NameN-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-7-(trifluoromethoxy)quinoline-3-carboxamide
SMILESCn1nnnc1N1CCC(NC(=O)c2cnc3cc(OC(F)(F)F)ccc3c2)CC1
InChIInChI=1S/C18H18F3N7O2/c1-27-17(24-25-26-27)28-6-4-13(5-7-28)23-16(29)12-8-11-2-3-14(30-18(19,20)21)9-15(11)22-10-12/h2-3,8-10,13H,4-7H2,1H3,(H,23,29)
InChIKeyLXBBSPOGIFDDGJ-UHFFFAOYSA-N
XLogP2.06
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-7-(trifluoromethoxy)quinoline-3-carboxamide?
The IUPAC name of N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-7-(trifluoromethoxy)quinoline-3-carboxamide (CID 155538303) is N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-7-(trifluoromethoxy)quinoline-3-carboxamide.
What is the SMILES notation for N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-7-(trifluoromethoxy)quinoline-3-carboxamide?
The canonical SMILES for N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-7-(trifluoromethoxy)quinoline-3-carboxamide is Cn1nnnc1N1CCC(NC(=O)c2cnc3cc(OC(F)(F)F)ccc3c2)CC1.
What is the InChIKey of N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-7-(trifluoromethoxy)quinoline-3-carboxamide?
The InChIKey is LXBBSPOGIFDDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N7O2/c1-27-17(24-25-26-27)28-6-4-13(5-7-28)23-16(29)12-8-11-2-3-14(30-18(19,20)21)9-15(11)22-10-12/h2-3,8-10,13H,4-7H2,1H3,(H,23,29).
What are the key properties of N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-7-(trifluoromethoxy)quinoline-3-carboxamide?
N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-7-(trifluoromethoxy)quinoline-3-carboxamide has a molecular weight of 421.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-7-(trifluoromethoxy)quinoline-3-carboxamide is sourced from PubChem (CID 155538303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).