2-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)quinolin-6-yl]acetamide

C22H22N2O3 — CID 170510978

IUPAC2-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)quinolin-6-yl]acetamide
SMILESCOc1ccc(-c2cc(C3CC3)c3cc(CC(N)=O)ccc3n2)cc1OC
InChIInChI=1S/C22H22N2O3/c1-26-20-8-6-15(11-21(20)27-2)19-12-16(14-4-5-14)17-9-13(10-22(23)25)3-7-18(17)24-19/h3,6-9,11-12,14H,4-5,10H2,1-2H3,(H2,23,25)
InChIKeyUHODHKLSHHCAOH-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.82
Rot. Bonds6

About 2-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)quinolin-6-yl]acetamide

2-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)quinolin-6-yl]acetamide (PubChem CID 170510978) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)quinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)quinolin-6-yl]acetamide
PubChem CID170510978
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)quinolin-6-yl]acetamide
SMILESCOc1ccc(-c2cc(C3CC3)c3cc(CC(N)=O)ccc3n2)cc1OC
InChIInChI=1S/C22H22N2O3/c1-26-20-8-6-15(11-21(20)27-2)19-12-16(14-4-5-14)17-9-13(10-22(23)25)3-7-18(17)24-19/h3,6-9,11-12,14H,4-5,10H2,1-2H3,(H2,23,25)
InChIKeyUHODHKLSHHCAOH-UHFFFAOYSA-N
XLogP3.82
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-cyclopropyl-2-(3-propan-2-yloxyphenyl)quinolin-6-yl]acetamide
CID 170506236
2-[4-cyclopropyl-2-(3-propan-2-yloxyphenyl)quinolin-7-yl]acetamide
CID 170511987
4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol
CID 170504904
2-[2-(4-ethoxy-3-methoxyphenyl)-4-methylquinolin-6-yl]-N-methylacetamide
CID 169411482
2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4745196
[2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate
CID 70367689
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 32865339
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide
CID 26826456
ethyl 2-[3-(3,4-dimethoxyphenyl)benzo[f]quinolin-1-yl]acetate
CID 3648105
2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid
CID 139479710
cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 23823125
2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide
CID 3494981

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)quinolin-6-yl]acetamide?
The IUPAC name of 2-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)quinolin-6-yl]acetamide (CID 170510978) is 2-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)quinolin-6-yl]acetamide.
What is the SMILES notation for 2-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)quinolin-6-yl]acetamide?
The canonical SMILES for 2-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)quinolin-6-yl]acetamide is COc1ccc(-c2cc(C3CC3)c3cc(CC(N)=O)ccc3n2)cc1OC.
What is the InChIKey of 2-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)quinolin-6-yl]acetamide?
The InChIKey is UHODHKLSHHCAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-26-20-8-6-15(11-21(20)27-2)19-12-16(14-4-5-14)17-9-13(10-22(23)25)3-7-18(17)24-19/h3,6-9,11-12,14H,4-5,10H2,1-2H3,(H2,23,25).
What are the key properties of 2-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)quinolin-6-yl]acetamide?
2-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)quinolin-6-yl]acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)quinolin-6-yl]acetamide is sourced from PubChem (CID 170510978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).