4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide

C26H27N3O5 — CID 55455752

IUPAC4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
SMILESCOc1cc2ncn(CCCC(=O)N(Cc3ccco3)c3ccc(C)cc3)c(=O)c2cc1OC
InChIInChI=1S/C26H27N3O5/c1-18-8-10-19(11-9-18)29(16-20-6-5-13-34-20)25(30)7-4-12-28-17-27-22-15-24(33-3)23(32-2)14-21(22)26(28)31/h5-6,8-11,13-15,17H,4,7,12,16H2,1-3H3
InChIKeyMHCSUISYFSRGNB-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.33
Rot. Bonds9

About 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide (PubChem CID 55455752) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
PubChem CID55455752
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
SMILESCOc1cc2ncn(CCCC(=O)N(Cc3ccco3)c3ccc(C)cc3)c(=O)c2cc1OC
InChIInChI=1S/C26H27N3O5/c1-18-8-10-19(11-9-18)29(16-20-6-5-13-34-20)25(30)7-4-12-28-17-27-22-15-24(33-3)23(32-2)14-21(22)26(28)31/h5-6,8-11,13-15,17H,4,7,12,16H2,1-3H3
InChIKeyMHCSUISYFSRGNB-UHFFFAOYSA-N
XLogP4.33
TPSA86.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide?
The IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide (CID 55455752) is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide.
What is the SMILES notation for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide?
The canonical SMILES for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide is COc1cc2ncn(CCCC(=O)N(Cc3ccco3)c3ccc(C)cc3)c(=O)c2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide?
The InChIKey is MHCSUISYFSRGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-18-8-10-19(11-9-18)29(16-20-6-5-13-34-20)25(30)7-4-12-28-17-27-22-15-24(33-3)23(32-2)14-21(22)26(28)31/h5-6,8-11,13-15,17H,4,7,12,16H2,1-3H3.
What are the key properties of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide?
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide has a molecular weight of 461.52 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide is sourced from PubChem (CID 55455752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).