N-cyclopropyl-2-[3-(3-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide

C21H21N3O4 — CID 71956343

IUPACN-cyclopropyl-2-[3-(3-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1cccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)NC3CC3)c2=O)c1
InChIInChI=1S/C21H21N3O4/c1-13-6-9-18-17(10-13)20(26)24(15-4-3-5-16(11-15)28-2)21(27)23(18)12-19(25)22-14-7-8-14/h3-6,9-11,14H,7-8,12H2,1-2H3,(H,22,25)
InChIKeyKKWXITLIAVRCMW-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.75
Rot. Bonds5

About N-cyclopropyl-2-[3-(3-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide

N-cyclopropyl-2-[3-(3-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 71956343) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(3-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(3-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID71956343
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-cyclopropyl-2-[3-(3-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1cccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)NC3CC3)c2=O)c1
InChIInChI=1S/C21H21N3O4/c1-13-6-9-18-17(10-13)20(26)24(15-4-3-5-16(11-15)28-2)21(27)23(18)12-19(25)22-14-7-8-14/h3-6,9-11,14H,7-8,12H2,1-2H3,(H,22,25)
InChIKeyKKWXITLIAVRCMW-UHFFFAOYSA-N
XLogP1.75
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762553
3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione
CID 71956372
2-[3-(2-chlorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 71956406
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 55945706
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 22429464
2-[3-(2,3-dimethylphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide
CID 71954955
N-(2,4-dimethoxyphenyl)-2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl]acetamide
CID 91917058
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 40696474
N-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 50763044
2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 42811228
2-[3-(3-chlorophenyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17197939
N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 22427951

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(3-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[3-(3-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide (CID 71956343) is N-cyclopropyl-2-[3-(3-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(3-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[3-(3-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide is COc1cccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)NC3CC3)c2=O)c1.
What is the InChIKey of N-cyclopropyl-2-[3-(3-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is KKWXITLIAVRCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-13-6-9-18-17(10-13)20(26)24(15-4-3-5-16(11-15)28-2)21(27)23(18)12-19(25)22-14-7-8-14/h3-6,9-11,14H,7-8,12H2,1-2H3,(H,22,25).
What are the key properties of N-cyclopropyl-2-[3-(3-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide?
N-cyclopropyl-2-[3-(3-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(3-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 71956343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).