N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-2-methylbenzamide

C21H21N3O4 — CID 1457899

IUPACN-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-2-methylbenzamide
SMILESCOc1cc2nc(C3CC3)n(NC(=O)c3ccccc3C)c(=O)c2cc1OC
InChIInChI=1S/C21H21N3O4/c1-12-6-4-5-7-14(12)20(25)23-24-19(13-8-9-13)22-16-11-18(28-3)17(27-2)10-15(16)21(24)26/h4-7,10-11,13H,8-9H2,1-3H3,(H,23,25)
InChIKeyRCMVSDSWYFJEJI-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.98
Rot. Bonds5

About N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-2-methylbenzamide

N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-2-methylbenzamide (PubChem CID 1457899) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-2-methylbenzamide
PubChem CID1457899
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-2-methylbenzamide
SMILESCOc1cc2nc(C3CC3)n(NC(=O)c3ccccc3C)c(=O)c2cc1OC
InChIInChI=1S/C21H21N3O4/c1-12-6-4-5-7-14(12)20(25)23-24-19(13-8-9-13)22-16-11-18(28-3)17(27-2)10-15(16)21(24)26/h4-7,10-11,13H,8-9H2,1-3H3,(H,23,25)
InChIKeyRCMVSDSWYFJEJI-UHFFFAOYSA-N
XLogP2.98
TPSA82.45 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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-2-methylbenzamide?
The IUPAC name of N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-2-methylbenzamide (CID 1457899) is N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-2-methylbenzamide.
What is the SMILES notation for N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-2-methylbenzamide?
The canonical SMILES for N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-2-methylbenzamide is COc1cc2nc(C3CC3)n(NC(=O)c3ccccc3C)c(=O)c2cc1OC.
What is the InChIKey of N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-2-methylbenzamide?
The InChIKey is RCMVSDSWYFJEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-12-6-4-5-7-14(12)20(25)23-24-19(13-8-9-13)22-16-11-18(28-3)17(27-2)10-15(16)21(24)26/h4-7,10-11,13H,8-9H2,1-3H3,(H,23,25).
What are the key properties of N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-2-methylbenzamide?
N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-2-methylbenzamide has a molecular weight of 379.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-2-methylbenzamide is sourced from PubChem (CID 1457899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).