7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide

C26H24FN3O2 — CID 71565964

IUPAC7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4ccc(CF)nc4)ccc23)cc1
InChIInChI=1S/C26H24FN3O2/c1-16(11-17-3-7-20(14-27)29-15-17)19-6-10-22-23(18-4-8-21(32-2)9-5-18)13-25(26(28)31)30-24(22)12-19/h3-10,12-13,15-16H,11,14H2,1-2H3,(H2,28,31)
InChIKeySMZPBLBOSDOZFR-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.22
Rot. Bonds7

About 7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide

7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide (PubChem CID 71565964) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide
PubChem CID71565964
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4ccc(CF)nc4)ccc23)cc1
InChIInChI=1S/C26H24FN3O2/c1-16(11-17-3-7-20(14-27)29-15-17)19-6-10-22-23(18-4-8-21(32-2)9-5-18)13-25(26(28)31)30-24(22)12-19/h3-10,12-13,15-16H,11,14H2,1-2H3,(H2,28,31)
InChIKeySMZPBLBOSDOZFR-UHFFFAOYSA-N
XLogP5.22
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide?
The IUPAC name of 7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide (CID 71565964) is 7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide.
What is the SMILES notation for 7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide?
The canonical SMILES for 7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide is COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4ccc(CF)nc4)ccc23)cc1.
What is the InChIKey of 7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide?
The InChIKey is SMZPBLBOSDOZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-16(11-17-3-7-20(14-27)29-15-17)19-6-10-22-23(18-4-8-21(32-2)9-5-18)13-25(26(28)31)30-24(22)12-19/h3-10,12-13,15-16H,11,14H2,1-2H3,(H2,28,31).
What are the key properties of 7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide?
7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide is sourced from PubChem (CID 71565964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).