N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxamide

C28H25N3O2 — CID 2977359

IUPACN-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc4c(c3)CCCC4)nc3ccccc23)cc1
InChIInChI=1S/C28H25N3O2/c1-18(32)29-22-12-14-23(15-13-22)30-28(33)25-17-27(31-26-9-5-4-8-24(25)26)21-11-10-19-6-2-3-7-20(19)16-21/h4-5,8-17H,2-3,6-7H2,1H3,(H,29,32)(H,30,33)
InChIKeyDDUXPAKPBKPPQZ-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.99
Rot. Bonds4

About N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxamide

N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxamide (PubChem CID 2977359) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxamide
PubChem CID2977359
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC NameN-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc4c(c3)CCCC4)nc3ccccc23)cc1
InChIInChI=1S/C28H25N3O2/c1-18(32)29-22-12-14-23(15-13-22)30-28(33)25-17-27(31-26-9-5-4-8-24(25)26)21-11-10-19-6-2-3-7-20(19)16-21/h4-5,8-17H,2-3,6-7H2,1H3,(H,29,32)(H,30,33)
InChIKeyDDUXPAKPBKPPQZ-UHFFFAOYSA-N
XLogP5.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
N-(2,3-dihydro-1H-inden-5-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide
CID 1018989
2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 50816172
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide
CID 3285016
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 4149905
2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051
N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide
CID 50816149
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
N-(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenylquinoline-4-carboxamide
CID 167908559
N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 25470751

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxamide (CID 2977359) is N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc4c(c3)CCCC4)nc3ccccc23)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxamide?
The InChIKey is DDUXPAKPBKPPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/c1-18(32)29-22-12-14-23(15-13-22)30-28(33)25-17-27(31-26-9-5-4-8-24(25)26)21-11-10-19-6-2-3-7-20(19)16-21/h4-5,8-17H,2-3,6-7H2,1H3,(H,29,32)(H,30,33).
What are the key properties of N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxamide?
N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 5.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2977359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).