2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

C26H25N3O2 — CID 3443765

IUPAC2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccnc3)c3cc(C(C)C)ccc3n2)cc1
InChIInChI=1S/C26H25N3O2/c1-17(2)20-8-11-24-22(13-20)23(26(30)28-16-18-5-4-12-27-15-18)14-25(29-24)19-6-9-21(31-3)10-7-19/h4-15,17H,16H2,1-3H3,(H,28,30)
InChIKeyHLKSEEKBNCRZHX-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.36
Rot. Bonds6

About 2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide (PubChem CID 3443765) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
PubChem CID3443765
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccnc3)c3cc(C(C)C)ccc3n2)cc1
InChIInChI=1S/C26H25N3O2/c1-17(2)20-8-11-24-22(13-20)23(26(30)28-16-18-5-4-12-27-15-18)14-25(29-24)19-6-9-21(31-3)10-7-19/h4-15,17H,16H2,1-3H3,(H,28,30)
InChIKeyHLKSEEKBNCRZHX-UHFFFAOYSA-N
XLogP5.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide
CID 3443764
2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 998766
methyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate
CID 39351435
2-(4-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24717051
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798269
N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxamide
CID 3443763
2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110767628
6-(4-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
CID 134807730
2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42750052
2-oxo-4-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrimidine-6-carboxamide
CID 110332451

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide (CID 3443765) is 2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCc3cccnc3)c3cc(C(C)C)ccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The InChIKey is HLKSEEKBNCRZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-17(2)20-8-11-24-22(13-20)23(26(30)28-16-18-5-4-12-27-15-18)14-25(29-24)19-6-9-21(31-3)10-7-19/h4-15,17H,16H2,1-3H3,(H,28,30).
What are the key properties of 2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 3443765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).