N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide

C27H24N2O2 — CID 92773019

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)N[C@H]3CCc4ccccc43)c3ccccc3n2)cc1
InChIInChI=1S/C27H24N2O2/c1-2-31-20-14-11-19(12-15-20)26-17-23(22-9-5-6-10-24(22)28-26)27(30)29-25-16-13-18-7-3-4-8-21(18)25/h3-12,14-15,17,25H,2,13,16H2,1H3,(H,29,30)/t25-/m0/s1
InChIKeyJXENNPLAAYKWGV-VWLOTQADSA-N
MW408.50 g/mol
LogP5.72
Rot. Bonds5

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide (PubChem CID 92773019) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
PubChem CID92773019
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)N[C@H]3CCc4ccccc43)c3ccccc3n2)cc1
InChIInChI=1S/C27H24N2O2/c1-2-31-20-14-11-19(12-15-20)26-17-23(22-9-5-6-10-24(22)28-26)27(30)29-25-16-13-18-7-3-4-8-21(18)25/h3-12,14-15,17,25H,2,13,16H2,1H3,(H,29,30)/t25-/m0/s1
InChIKeyJXENNPLAAYKWGV-VWLOTQADSA-N
XLogP5.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
CID 5045175
2-(4-ethoxyphenyl)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]quinoline-4-carboxamide
CID 163338327
2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
CID 19583652
3-(4-ethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide
CID 20918159
N-(2,3-dihydro-1H-inden-1-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55493888
N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3426683
N-(2,6-dichlorophenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4278019
2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]quinoline-4-carboxamide
CID 46098671
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
[4-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]-2,5-dimethylpiperazin-1-yl]-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone
CID 3504538
2-(4-ethoxyphenyl)-N-(3-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 1358364
dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1291458

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide (CID 92773019) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide is CCOc1ccc(-c2cc(C(=O)N[C@H]3CCc4ccccc43)c3ccccc3n2)cc1.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is JXENNPLAAYKWGV-VWLOTQADSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-2-31-20-14-11-19(12-15-20)26-17-23(22-9-5-6-10-24(22)28-26)27(30)29-25-16-13-18-7-3-4-8-21(18)25/h3-12,14-15,17,25H,2,13,16H2,1H3,(H,29,30)/t25-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 92773019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).