N-[(3-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-7-carboxamide

C24H18F3N3O2 — CID 71144067

IUPACN-[(3-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-7-carboxamide
SMILESCOc1cccnc1C(NC(=O)c1ccc2cccnc2c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H18F3N3O2/c1-32-20-5-3-13-29-22(20)21(16-8-10-18(11-9-16)24(25,26)27)30-23(31)17-7-6-15-4-2-12-28-19(15)14-17/h2-14,21H,1H3,(H,30,31)
InChIKeySILDICAYXKCSBR-UHFFFAOYSA-N
MW437.42 g/mol
LogP5.18
Rot. Bonds5

About N-[(3-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-7-carboxamide

N-[(3-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-7-carboxamide (PubChem CID 71144067) has the molecular formula C24H18F3N3O2 and a molecular weight of 437.42 g/mol. Its IUPAC name is N-[(3-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-7-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-7-carboxamide
PubChem CID71144067
Molecular FormulaC24H18F3N3O2
Molecular Weight437.42 g/mol
Exact Mass437.14
IUPAC NameN-[(3-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-7-carboxamide
SMILESCOc1cccnc1C(NC(=O)c1ccc2cccnc2c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H18F3N3O2/c1-32-20-5-3-13-29-22(20)21(16-8-10-18(11-9-16)24(25,26)27)30-23(31)17-7-6-15-4-2-12-28-19(15)14-17/h2-14,21H,1H3,(H,30,31)
InChIKeySILDICAYXKCSBR-UHFFFAOYSA-N
XLogP5.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.42
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-7-carboxamide?
The IUPAC name of N-[(3-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-7-carboxamide (CID 71144067) is N-[(3-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-7-carboxamide.
What is the SMILES notation for N-[(3-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-7-carboxamide?
The canonical SMILES for N-[(3-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-7-carboxamide is COc1cccnc1C(NC(=O)c1ccc2cccnc2c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(3-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-7-carboxamide?
The InChIKey is SILDICAYXKCSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2/c1-32-20-5-3-13-29-22(20)21(16-8-10-18(11-9-16)24(25,26)27)30-23(31)17-7-6-15-4-2-12-28-19(15)14-17/h2-14,21H,1H3,(H,30,31).
What are the key properties of N-[(3-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-7-carboxamide?
N-[(3-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-7-carboxamide has a molecular weight of 437.42 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-7-carboxamide is sourced from PubChem (CID 71144067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).