4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide

C20H24N4O5 — CID 55641428

IUPAC4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
SMILESCOc1cc2ncn(CCCC(=O)N(C)Cc3cc(C)on3)c(=O)c2cc1OC
InChIInChI=1S/C20H24N4O5/c1-13-8-14(22-29-13)11-23(2)19(25)6-5-7-24-12-21-16-10-18(28-4)17(27-3)9-15(16)20(24)26/h8-10,12H,5-7,11H2,1-4H3
InChIKeyPIMKIGBWDXSZSX-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.15
Rot. Bonds8

About 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide (PubChem CID 55641428) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
PubChem CID55641428
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
SMILESCOc1cc2ncn(CCCC(=O)N(C)Cc3cc(C)on3)c(=O)c2cc1OC
InChIInChI=1S/C20H24N4O5/c1-13-8-14(22-29-13)11-23(2)19(25)6-5-7-24-12-21-16-10-18(28-4)17(27-3)9-15(16)20(24)26/h8-10,12H,5-7,11H2,1-4H3
InChIKeyPIMKIGBWDXSZSX-UHFFFAOYSA-N
XLogP2.15
TPSA99.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide with MolForge

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Related Compounds

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 46685244
N-[(5-chlorothiophen-2-yl)methyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylbutanamide
CID 55454878
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide
CID 46470686
N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide
CID 39338198
2-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl-propan-2-ylamino]acetic acid
CID 120581059
3-(4-chlorobutyl)-6,7-dimethoxyquinazolin-4-one
CID 22326633
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
CID 55455752
(2,3,6-trimethylphenyl) 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
CID 51476992
N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 46558346
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 46666783
6,7-dimethoxy-3-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one
CID 55573970
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 51276831

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
The IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide (CID 55641428) is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide.
What is the SMILES notation for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
The canonical SMILES for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide is COc1cc2ncn(CCCC(=O)N(C)Cc3cc(C)on3)c(=O)c2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
The InChIKey is PIMKIGBWDXSZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-13-8-14(22-29-13)11-23(2)19(25)6-5-7-24-12-21-16-10-18(28-4)17(27-3)9-15(16)20(24)26/h8-10,12H,5-7,11H2,1-4H3.
What are the key properties of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide has a molecular weight of 400.44 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide is sourced from PubChem (CID 55641428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).