N-(2,3-dihydro-1H-inden-5-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide

C27H24N2O2 — CID 1018989

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)CCC4)c3ccccc3n2)c1
InChIInChI=1S/C27H24N2O2/c1-2-31-22-10-6-9-20(16-22)26-17-24(23-11-3-4-12-25(23)29-26)27(30)28-21-14-13-18-7-5-8-19(18)15-21/h3-4,6,9-17H,2,5,7-8H2,1H3,(H,28,30)
InChIKeyCNRKKHWMJXRLOW-UHFFFAOYSA-N
MW408.50 g/mol
LogP6.04
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide (PubChem CID 1018989) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide
PubChem CID1018989
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)CCC4)c3ccccc3n2)c1
InChIInChI=1S/C27H24N2O2/c1-2-31-22-10-6-9-20(16-22)26-17-24(23-11-3-4-12-25(23)29-26)27(30)28-21-14-13-18-7-5-8-19(18)15-21/h3-4,6,9-17H,2,5,7-8H2,1H3,(H,28,30)
InChIKeyCNRKKHWMJXRLOW-UHFFFAOYSA-N
XLogP6.04
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 ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxyphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 1011517
N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxamide
CID 2977359
2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 5103750
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide
CID 995273
methyl 2-[[2-(3-ethoxyphenyl)quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 4249670
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
CID 56692982
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4625982
dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1291458
2-(3-butoxyphenyl)quinoline-4-carbohydrazide
CID 3492380
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3426683

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide (CID 1018989) is N-(2,3-dihydro-1H-inden-5-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide is CCOc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)CCC4)c3ccccc3n2)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is CNRKKHWMJXRLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-2-31-22-10-6-9-20(16-22)26-17-24(23-11-3-4-12-25(23)29-26)27(30)28-21-14-13-18-7-5-8-19(18)15-21/h3-4,6,9-17H,2,5,7-8H2,1H3,(H,28,30).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1018989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).