4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide

C22H24FN3O4 — CID 46470686

IUPAC4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide
SMILESCOc1cc2ncn(CCCC(=O)N(C)Cc3ccc(F)cc3)c(=O)c2cc1OC
InChIInChI=1S/C22H24FN3O4/c1-25(13-15-6-8-16(23)9-7-15)21(27)5-4-10-26-14-24-18-12-20(30-3)19(29-2)11-17(18)22(26)28/h6-9,11-12,14H,4-5,10,13H2,1-3H3
InChIKeyBSKZHGATUFEYOV-UHFFFAOYSA-N
MW413.45 g/mol
LogP2.99
Rot. Bonds8

About 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide (PubChem CID 46470686) has the molecular formula C22H24FN3O4 and a molecular weight of 413.45 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide
PubChem CID46470686
Molecular FormulaC22H24FN3O4
Molecular Weight413.45 g/mol
Exact Mass413.18
IUPAC Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide
SMILESCOc1cc2ncn(CCCC(=O)N(C)Cc3ccc(F)cc3)c(=O)c2cc1OC
InChIInChI=1S/C22H24FN3O4/c1-25(13-15-6-8-16(23)9-7-15)21(27)5-4-10-26-14-24-18-12-20(30-3)19(29-2)11-17(18)22(26)28/h6-9,11-12,14H,4-5,10,13H2,1-3H3
InChIKeyBSKZHGATUFEYOV-UHFFFAOYSA-N
XLogP2.99
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 46685244
N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide
CID 39338198
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]butanamide
CID 55455208
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-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 55641428
N-[(4-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272205
N-[(3,4-dimethoxyphenyl)methyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide
CID 46584153
2-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl-propan-2-ylamino]acetic acid
CID 120581059
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-[2-(4-fluorophenoxy)propanoyl]butanehydrazide
CID 46657662
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide
CID 55578791
3-(4-chlorobutyl)-6,7-dimethoxyquinazolin-4-one
CID 22326633
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 46666783

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide?
The IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide (CID 46470686) is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide?
The canonical SMILES for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide is COc1cc2ncn(CCCC(=O)N(C)Cc3ccc(F)cc3)c(=O)c2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide?
The InChIKey is BSKZHGATUFEYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4/c1-25(13-15-6-8-16(23)9-7-15)21(27)5-4-10-26-14-24-18-12-20(30-3)19(29-2)11-17(18)22(26)28/h6-9,11-12,14H,4-5,10,13H2,1-3H3.
What are the key properties of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide?
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide has a molecular weight of 413.45 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 46470686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).