N-[6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-yl]acetamide

C22H25N3O4 — CID 68603998

IUPACN-[6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-yl]acetamide
SMILESCOc1ccc(-c2ccc3nc(NC(C)=O)nc(OC(C)(C)C)c3c2)cc1OC
InChIInChI=1S/C22H25N3O4/c1-13(26)23-21-24-17-9-7-14(11-16(17)20(25-21)29-22(2,3)4)15-8-10-18(27-5)19(12-15)28-6/h7-12H,1-6H3,(H,23,24,25,26)
InChIKeyYWWHMNMLBIUUDV-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.45
Rot. Bonds5

About N-[6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-yl]acetamide

N-[6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-yl]acetamide (PubChem CID 68603998) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-yl]acetamide
PubChem CID68603998
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-yl]acetamide
SMILESCOc1ccc(-c2ccc3nc(NC(C)=O)nc(OC(C)(C)C)c3c2)cc1OC
InChIInChI=1S/C22H25N3O4/c1-13(26)23-21-24-17-9-7-14(11-16(17)20(25-21)29-22(2,3)4)15-8-10-18(27-5)19(12-15)28-6/h7-12H,1-6H3,(H,23,24,25,26)
InChIKeyYWWHMNMLBIUUDV-UHFFFAOYSA-N
XLogP4.45
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-amino-4-methoxyquinazolin-6-yl)phenyl]acetamide
CID 24962796
2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4745196
N-[6-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-yl]acetamide
CID 68601586
benzyl 4-[6-(3,4-dimethoxyphenyl)-2-(2,2-dimethylpropanoylamino)pyrido[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 11996227
N-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide
CID 70880579
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine
CID 24961708
4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53223762
N-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide
CID 58902871
methyl 2-[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]acetate
CID 21224072
1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 117052432

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-yl]acetamide?
The IUPAC name of N-[6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-yl]acetamide (CID 68603998) is N-[6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-yl]acetamide.
What is the SMILES notation for N-[6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-yl]acetamide?
The canonical SMILES for N-[6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-yl]acetamide is COc1ccc(-c2ccc3nc(NC(C)=O)nc(OC(C)(C)C)c3c2)cc1OC.
What is the InChIKey of N-[6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-yl]acetamide?
The InChIKey is YWWHMNMLBIUUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-13(26)23-21-24-17-9-7-14(11-16(17)20(25-21)29-22(2,3)4)15-8-10-18(27-5)19(12-15)28-6/h7-12H,1-6H3,(H,23,24,25,26).
What are the key properties of N-[6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-yl]acetamide?
N-[6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-yl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-yl]acetamide is sourced from PubChem (CID 68603998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).