2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide

C25H23N3O2 — CID 56692982

IUPAC2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
SMILESCCCCOc1cccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)c1
InChIInChI=1S/C25H23N3O2/c1-2-3-14-30-20-10-6-8-18(15-20)24-16-22(21-11-4-5-12-23(21)28-24)25(29)27-19-9-7-13-26-17-19/h4-13,15-17H,2-3,14H2,1H3,(H,27,29)
InChIKeyIVXJVHXWSAAHOE-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.73
Rot. Bonds7

About 2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide

2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 56692982) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
PubChem CID56692982
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
SMILESCCCCOc1cccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)c1
InChIInChI=1S/C25H23N3O2/c1-2-3-14-30-20-10-6-8-18(15-20)24-16-22(21-11-4-5-12-23(21)28-24)25(29)27-19-9-7-13-26-17-19/h4-13,15-17H,2-3,14H2,1H3,(H,27,29)
InChIKeyIVXJVHXWSAAHOE-UHFFFAOYSA-N
XLogP5.73
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 5103750
2-(3-butoxyphenyl)quinoline-4-carbohydrazide
CID 3492380
N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 27682804
1-[[2-(3-butoxyphenyl)quinoline-4-carbonyl]amino]-1-ethylthiourea
CID 22301212
2-(3-ethoxyphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 1011517
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313
N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
2-(3-butoxyphenyl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide
CID 5222667
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 43048343
N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 30294376
N-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide
CID 3304811
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide (CID 56692982) is 2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide is CCCCOc1cccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is IVXJVHXWSAAHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-2-3-14-30-20-10-6-8-18(15-20)24-16-22(21-11-4-5-12-23(21)28-24)25(29)27-19-9-7-13-26-17-19/h4-13,15-17H,2-3,14H2,1H3,(H,27,29).
What are the key properties of 2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide?
2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 56692982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).