2-[4-(2,4-dihydro-1H-quinazolin-3-yl)piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone

C23H29N3O3 — CID 70547821

IUPAC2-[4-(2,4-dihydro-1H-quinazolin-3-yl)piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2CCC(N3CNc4ccccc4C3)CC2)cc1OC
InChIInChI=1S/C23H29N3O3/c1-28-22-8-7-17(13-23(22)29-2)21(27)15-25-11-9-19(10-12-25)26-14-18-5-3-4-6-20(18)24-16-26/h3-8,13,19,24H,9-12,14-16H2,1-2H3
InChIKeyRRTACHWHABGRHE-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.24
Rot. Bonds6

About 2-[4-(2,4-dihydro-1H-quinazolin-3-yl)piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone

2-[4-(2,4-dihydro-1H-quinazolin-3-yl)piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone (PubChem CID 70547821) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[4-(2,4-dihydro-1H-quinazolin-3-yl)piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(2,4-dihydro-1H-quinazolin-3-yl)piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone
PubChem CID70547821
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-[4-(2,4-dihydro-1H-quinazolin-3-yl)piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2CCC(N3CNc4ccccc4C3)CC2)cc1OC
InChIInChI=1S/C23H29N3O3/c1-28-22-8-7-17(13-23(22)29-2)21(27)15-25-11-9-19(10-12-25)26-14-18-5-3-4-6-20(18)24-16-26/h3-8,13,19,24H,9-12,14-16H2,1-2H3
InChIKeyRRTACHWHABGRHE-UHFFFAOYSA-N
XLogP3.24
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2,4-dihydro-1H-quinazolin-3-yl)piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone with MolForge

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Related Compounds

3-[1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
CID 13034669
2-[4-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone
CID 110830029
2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone
CID 110368777
tert-butyl N-[1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperidin-4-yl]carbamate
CID 56771208
ethyl 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110368813
2-methoxy-5-[2-(4-methylpiperidin-1-yl)acetyl]benzoic acid
CID 82052341
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]azepane;oxalic acid
CID 2913614
1-(3,4-dimethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 110368785
3-[1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 12797985
(3,4-dimethoxyphenyl)-(2-sulfanylidene-1,4-dihydroquinazolin-3-yl)methanone
CID 670467
1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one
CID 745591

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dihydro-1H-quinazolin-3-yl)piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-[4-(2,4-dihydro-1H-quinazolin-3-yl)piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone (CID 70547821) is 2-[4-(2,4-dihydro-1H-quinazolin-3-yl)piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-[4-(2,4-dihydro-1H-quinazolin-3-yl)piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-[4-(2,4-dihydro-1H-quinazolin-3-yl)piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone is COc1ccc(C(=O)CN2CCC(N3CNc4ccccc4C3)CC2)cc1OC.
What is the InChIKey of 2-[4-(2,4-dihydro-1H-quinazolin-3-yl)piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is RRTACHWHABGRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-28-22-8-7-17(13-23(22)29-2)21(27)15-25-11-9-19(10-12-25)26-14-18-5-3-4-6-20(18)24-16-26/h3-8,13,19,24H,9-12,14-16H2,1-2H3.
What are the key properties of 2-[4-(2,4-dihydro-1H-quinazolin-3-yl)piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone?
2-[4-(2,4-dihydro-1H-quinazolin-3-yl)piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone has a molecular weight of 395.50 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dihydro-1H-quinazolin-3-yl)piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 70547821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).