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

C24H21N3O2 — CID 5103750

IUPAC2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
SMILESCCCOc1cccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)c1
InChIInChI=1S/C24H21N3O2/c1-2-14-29-19-7-5-6-17(15-19)23-16-21(20-8-3-4-9-22(20)27-23)24(28)26-18-10-12-25-13-11-18/h3-13,15-16H,2,14H2,1H3,(H,25,26,28)
InChIKeyZZHUQUPFLIXKCX-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.34
Rot. Bonds6

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

2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 5103750) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
PubChem CID5103750
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
SMILESCCCOc1cccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)c1
InChIInChI=1S/C24H21N3O2/c1-2-14-29-19-7-5-6-17(15-19)23-16-21(20-8-3-4-9-22(20)27-23)24(28)26-18-10-12-25-13-11-18/h3-13,15-16H,2,14H2,1H3,(H,25,26,28)
InChIKeyZZHUQUPFLIXKCX-UHFFFAOYSA-N
XLogP5.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
CID 56692982
2-(3-butoxyphenyl)quinoline-4-carbohydrazide
CID 3492380
2-(3-ethoxyphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 1011517
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 43048343
N-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide
CID 3304811
N-(2,3-dihydro-1H-inden-5-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide
CID 1018989
methyl 5-methyl-4-phenyl-2-[[2-(3-propoxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
CID 17384714
N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261334
methyl 2-[[2-(3-propoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 17384772
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
2-(3-propan-2-yloxyphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 2220820
N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55778991

Frequently Asked Questions

What is the IUPAC name of 2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of 2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide (CID 5103750) is 2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide is CCCOc1cccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is ZZHUQUPFLIXKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-2-14-29-19-7-5-6-17(15-19)23-16-21(20-8-3-4-9-22(20)27-23)24(28)26-18-10-12-25-13-11-18/h3-13,15-16H,2,14H2,1H3,(H,25,26,28).
What are the key properties of 2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 5103750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).