2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide

C22H26N2O4 — CID 7517455

IUPAC2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)c1OC
InChIInChI=1S/C22H26N2O4/c1-14(2)22(26)24-12-6-7-15-10-11-16(13-18(15)24)23-21(25)17-8-5-9-19(27-3)20(17)28-4/h5,8-11,13-14H,6-7,12H2,1-4H3,(H,23,25)
InChIKeyGXDKZDXSOUCAFY-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.89
Rot. Bonds5

About 2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide

2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide (PubChem CID 7517455) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
PubChem CID7517455
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)c1OC
InChIInChI=1S/C22H26N2O4/c1-14(2)22(26)24-12-6-7-15-10-11-16(13-18(15)24)23-21(25)17-8-5-9-19(27-3)20(17)28-4/h5,8-11,13-14H,6-7,12H2,1-4H3,(H,23,25)
InChIKeyGXDKZDXSOUCAFY-UHFFFAOYSA-N
XLogP3.89
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2,3-dimethoxybenzamide
CID 26198866
methyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 7517544
2-(2-methoxyphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 7517535
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide
CID 7498597
methyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 16766254
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide
CID 7688050
3,4-difluoro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517474
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-carboxamide
CID 16835101
N-(2,2-dimethoxyethyl)-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688029
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
N-cyclopropyl-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688051
2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 90524778

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide (CID 7517455) is 2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide is COc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide?
The InChIKey is GXDKZDXSOUCAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-14(2)22(26)24-12-6-7-15-10-11-16(13-18(15)24)23-21(25)17-8-5-9-19(27-3)20(17)28-4/h5,8-11,13-14H,6-7,12H2,1-4H3,(H,23,25).
What are the key properties of 2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide?
2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide is sourced from PubChem (CID 7517455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).