N-(5-chloro-2-pyridinyl)-N-[1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide

C25H24ClN3O3 — CID 58859722

IUPACN-(5-chloro-2-pyridinyl)-N-[1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
SMILESCOc1cccc(C(=O)N2c3ccccc3C(N(C(C)=O)c3ccc(Cl)cn3)CC2C)c1
InChIInChI=1S/C25H24ClN3O3/c1-16-13-23(29(17(2)30)24-12-11-19(26)15-27-24)21-9-4-5-10-22(21)28(16)25(31)18-7-6-8-20(14-18)32-3/h4-12,14-16,23H,13H2,1-3H3
InChIKeyOLUITESWNCQNCL-UHFFFAOYSA-N
MW449.94 g/mol
LogP5.28
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-N-[1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide

N-(5-chloro-2-pyridinyl)-N-[1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide (PubChem CID 58859722) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-N-[1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-N-[1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
PubChem CID58859722
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC NameN-(5-chloro-2-pyridinyl)-N-[1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
SMILESCOc1cccc(C(=O)N2c3ccccc3C(N(C(C)=O)c3ccc(Cl)cn3)CC2C)c1
InChIInChI=1S/C25H24ClN3O3/c1-16-13-23(29(17(2)30)24-12-11-19(26)15-27-24)21-9-4-5-10-22(21)28(16)25(31)18-7-6-8-20(14-18)32-3/h4-12,14-16,23H,13H2,1-3H3
InChIKeyOLUITESWNCQNCL-UHFFFAOYSA-N
XLogP5.28
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.94
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-pyridinyl)-N-[1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide with MolForge

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Related Compounds

N-[(2R,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-pyridin-2-ylacetamide
CID 21093025
N-[(2S,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7097678
N-[(2R,4S)-6-chloro-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide
CID 21093186
N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 19576143
N-[(2R,4S)-2-ethyl-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 10387869
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide
CID 1041001
N-[(2S,4R)-1-benzoyl-7-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69428809
N-(4-chlorophenyl)-N-ethyl-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 67165820
3-[[4-[4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]methyl]benzoic acid
CID 68921381
N-[1-(3,4-difluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 58859677
N-[1-[4-(3-aminopropoxy)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide
CID 68921537
ethyl 4-(N-acetylanilino)-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate
CID 68918793

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-N-[1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-N-[1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide (CID 58859722) is N-(5-chloro-2-pyridinyl)-N-[1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-N-[1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-N-[1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide is COc1cccc(C(=O)N2c3ccccc3C(N(C(C)=O)c3ccc(Cl)cn3)CC2C)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-N-[1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The InChIKey is OLUITESWNCQNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-16-13-23(29(17(2)30)24-12-11-19(26)15-27-24)21-9-4-5-10-22(21)28(16)25(31)18-7-6-8-20(14-18)32-3/h4-12,14-16,23H,13H2,1-3H3.
What are the key properties of N-(5-chloro-2-pyridinyl)-N-[1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
N-(5-chloro-2-pyridinyl)-N-[1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide has a molecular weight of 449.94 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-N-[1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide is sourced from PubChem (CID 58859722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).