2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide

C24H26FN5O5 — CID 29133153

IUPAC2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCOc1cc2ncn(CC(=O)NCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)c2cc1OC
InChIInChI=1S/C24H26FN5O5/c1-34-20-11-18-19(12-21(20)35-2)27-15-30(24(18)33)14-22(31)26-13-23(32)29-9-7-28(8-10-29)17-5-3-16(25)4-6-17/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,26,31)
InChIKeyRIBJFDYSLJWJTH-UHFFFAOYSA-N
MW483.50 g/mol
LogP1.02
Rot. Bonds7

About 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide

2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 29133153) has the molecular formula C24H26FN5O5 and a molecular weight of 483.50 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID29133153
Molecular FormulaC24H26FN5O5
Molecular Weight483.50 g/mol
Exact Mass483.19
IUPAC Name2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCOc1cc2ncn(CC(=O)NCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)c2cc1OC
InChIInChI=1S/C24H26FN5O5/c1-34-20-11-18-19(12-21(20)35-2)27-15-30(24(18)33)14-22(31)26-13-23(32)29-9-7-28(8-10-29)17-5-3-16(25)4-6-17/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,26,31)
InChIKeyRIBJFDYSLJWJTH-UHFFFAOYSA-N
XLogP1.02
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6,7-dimethoxyquinazolin-4-one
CID 29135161
1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 1433541
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]butanamide
CID 55681411
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide
CID 91638290
(2R)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 96565054
methyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate
CID 122603685
N-(2-morpholin-4-yl-2-oxoethyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 5073065
N-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
CID 166238740
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41041007
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
CID 124860372
N-[(3,4-dichlorophenyl)methyl]-2-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]acetamide
CID 122603807
2-[[ethyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135893272

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 29133153) is 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide is COc1cc2ncn(CC(=O)NCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)c2cc1OC.
What is the InChIKey of 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is RIBJFDYSLJWJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O5/c1-34-20-11-18-19(12-21(20)35-2)27-15-30(24(18)33)14-22(31)26-13-23(32)29-9-7-28(8-10-29)17-5-3-16(25)4-6-17/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,26,31).
What are the key properties of 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 483.50 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 29133153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).