N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide

C21H23N3O4 — CID 649633

IUPACN-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide
SMILESCOc1cc2nc(CC(C)C)n(NC(=O)c3ccccc3)c(=O)c2cc1OC
InChIInChI=1S/C21H23N3O4/c1-13(2)10-19-22-16-12-18(28-4)17(27-3)11-15(16)21(26)24(19)23-20(25)14-8-6-5-7-9-14/h5-9,11-13H,10H2,1-4H3,(H,23,25)
InChIKeyHDPFIEJFBOPQSA-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.00
Rot. Bonds6

About N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide

N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide (PubChem CID 649633) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide.

Molecular Properties

Compound NameN-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide
PubChem CID649633
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide
SMILESCOc1cc2nc(CC(C)C)n(NC(=O)c3ccccc3)c(=O)c2cc1OC
InChIInChI=1S/C21H23N3O4/c1-13(2)10-19-22-16-12-18(28-4)17(27-3)11-15(16)21(26)24(19)23-20(25)14-8-6-5-7-9-14/h5-9,11-13H,10H2,1-4H3,(H,23,25)
InChIKeyHDPFIEJFBOPQSA-UHFFFAOYSA-N
XLogP3.00
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzamide
CID 742907
D-709119
CID 9863862
3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6894412
N-(6,7-dimethoxy-4-oxo-1,4-dihydroquinazolin-2-yl)benzamide
CID 135399549
2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one
CID 135484663
6,7-Dimethoxy-3H-quinazolin-4-one
CID 135495016
7-Benzyloxy-6-methoxy-3H-quinazolin-4-one
CID 135404718
(6aS)-2,3-dimethoxy-8-[(E)-2-phenylethenyl]-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 46196691
(6aS)-2,3-dimethoxy-8-(3-methoxyphenyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 46907351
N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide
CID 2810066
3-Amino-2-cyclobutyl-6,7-dimethoxy-3H-quinazolin-4-one
CID 6488201
6,7-Dimethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-one
CID 118722443

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide?
The IUPAC name of N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide (CID 649633) is N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide.
What is the SMILES notation for N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide?
The canonical SMILES for N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide is COc1cc2nc(CC(C)C)n(NC(=O)c3ccccc3)c(=O)c2cc1OC.
What is the InChIKey of N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide?
The InChIKey is HDPFIEJFBOPQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-13(2)10-19-22-16-12-18(28-4)17(27-3)11-15(16)21(26)24(19)23-20(25)14-8-6-5-7-9-14/h5-9,11-13H,10H2,1-4H3,(H,23,25).
What are the key properties of N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide?
N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide has a molecular weight of 381.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide is sourced from PubChem (CID 649633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).