1-[3-(2,3-dimethoxyphenyl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide

C21H24N2O4 — CID 139000239

IUPAC1-[3-(2,3-dimethoxyphenyl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide
SMILESCOc1cccc(CCC(=O)N2CC(C(N)=O)Cc3ccccc32)c1OC
InChIInChI=1S/C21H24N2O4/c1-26-18-9-5-7-14(20(18)27-2)10-11-19(24)23-13-16(21(22)25)12-15-6-3-4-8-17(15)23/h3-9,16H,10-13H2,1-2H3,(H2,22,25)
InChIKeyULDVLUYHDLBJNT-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.33
Rot. Bonds6

About 1-[3-(2,3-dimethoxyphenyl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide

1-[3-(2,3-dimethoxyphenyl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide (PubChem CID 139000239) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[3-(2,3-dimethoxyphenyl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide.

Molecular Properties

Compound Name1-[3-(2,3-dimethoxyphenyl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide
PubChem CID139000239
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-[3-(2,3-dimethoxyphenyl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide
SMILESCOc1cccc(CCC(=O)N2CC(C(N)=O)Cc3ccccc32)c1OC
InChIInChI=1S/C21H24N2O4/c1-26-18-9-5-7-14(20(18)27-2)10-11-19(24)23-13-16(21(22)25)12-15-6-3-4-8-17(15)23/h3-9,16H,10-13H2,1-2H3,(H2,22,25)
InChIKeyULDVLUYHDLBJNT-UHFFFAOYSA-N
XLogP2.33
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one
CID 30271420
(3R)-2-[3-(2,3-dimethoxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 9363514
1-[3-(1-methylpyrazol-4-yl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide
CID 138995763
1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902190
1-(3-propoxypropanoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902474
ethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
CID 94014719
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
6-methoxy-3-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110416263
1-amino-4-(2,3-dimethoxyphenyl)butan-2-one;hydrochloride
CID 67393300
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 18333101
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dimethoxyphenyl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide?
The IUPAC name of 1-[3-(2,3-dimethoxyphenyl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide (CID 139000239) is 1-[3-(2,3-dimethoxyphenyl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide.
What is the SMILES notation for 1-[3-(2,3-dimethoxyphenyl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide?
The canonical SMILES for 1-[3-(2,3-dimethoxyphenyl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide is COc1cccc(CCC(=O)N2CC(C(N)=O)Cc3ccccc32)c1OC.
What is the InChIKey of 1-[3-(2,3-dimethoxyphenyl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide?
The InChIKey is ULDVLUYHDLBJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-18-9-5-7-14(20(18)27-2)10-11-19(24)23-13-16(21(22)25)12-15-6-3-4-8-17(15)23/h3-9,16H,10-13H2,1-2H3,(H2,22,25).
What are the key properties of 1-[3-(2,3-dimethoxyphenyl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide?
1-[3-(2,3-dimethoxyphenyl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dimethoxyphenyl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide is sourced from PubChem (CID 139000239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).