2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C23H27N3O6 — CID 91638328

IUPAC2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2c(C)nc3cc(OC)c(OC)cc3c2=O)cc1OC
InChIInChI=1S/C23H27N3O6/c1-14-25-17-12-21(32-5)20(31-4)11-16(17)23(28)26(14)13-22(27)24-9-8-15-6-7-18(29-2)19(10-15)30-3/h6-7,10-12H,8-9,13H2,1-5H3,(H,24,27)
InChIKeyQRFRLDBJZAUPCJ-UHFFFAOYSA-N
MW441.48 g/mol
LogP2.10
Rot. Bonds9

About 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 91638328) has the molecular formula C23H27N3O6 and a molecular weight of 441.48 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID91638328
Molecular FormulaC23H27N3O6
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Name2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2c(C)nc3cc(OC)c(OC)cc3c2=O)cc1OC
InChIInChI=1S/C23H27N3O6/c1-14-25-17-12-21(32-5)20(31-4)11-16(17)23(28)26(14)13-22(27)24-9-8-15-6-7-18(29-2)19(10-15)30-3/h6-7,10-12H,8-9,13H2,1-5H3,(H,24,27)
InChIKeyQRFRLDBJZAUPCJ-UHFFFAOYSA-N
XLogP2.10
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 71692285
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 71827803
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 52905386
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9368902
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 110206981
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 16801024
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 16675065
methyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940979
2-[3-[2-(4-chlorophenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 22423536
3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2365750
2-(3-benzyl-6-chloro-2,4-dioxoquinazolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 22429536
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 3408500

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 91638328) is 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)Cn2c(C)nc3cc(OC)c(OC)cc3c2=O)cc1OC.
What is the InChIKey of 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is QRFRLDBJZAUPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6/c1-14-25-17-12-21(32-5)20(31-4)11-16(17)23(28)26(14)13-22(27)24-9-8-15-6-7-18(29-2)19(10-15)30-3/h6-7,10-12H,8-9,13H2,1-5H3,(H,24,27).
What are the key properties of 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 441.48 g/mol, XLogP of 2.10, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 91638328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).