N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylfuran-2-carboxamide

C25H25N3O4 — CID 42721625

IUPACN-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylfuran-2-carboxamide
SMILESCCOc1ccc(-n2c(C(C)N(CC)C(=O)c3ccco3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H25N3O4/c1-4-27(25(30)22-11-8-16-32-22)17(3)23-26-21-10-7-6-9-20(21)24(29)28(23)18-12-14-19(15-13-18)31-5-2/h6-17H,4-5H2,1-3H3
InChIKeyKEINOVIRSYRFID-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.60
Rot. Bonds7

About N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylfuran-2-carboxamide

N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylfuran-2-carboxamide (PubChem CID 42721625) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylfuran-2-carboxamide
PubChem CID42721625
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylfuran-2-carboxamide
SMILESCCOc1ccc(-n2c(C(C)N(CC)C(=O)c3ccco3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H25N3O4/c1-4-27(25(30)22-11-8-16-32-22)17(3)23-26-21-10-7-6-9-20(21)24(29)28(23)18-12-14-19(15-13-18)31-5-2/h6-17H,4-5H2,1-3H3
InChIKeyKEINOVIRSYRFID-UHFFFAOYSA-N
XLogP4.60
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]furan-2-carboxamide
CID 42713243
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
CID 42721668
N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42721644
2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)acetamide
CID 42721670
ethyl 4-[benzyl-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-4-oxobutanoate
CID 5161627
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide
CID 42721674
4-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide
CID 4312468
4-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 5196601
2-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)benzamide
CID 42721522
2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one
CID 58601638
N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide
CID 42715387
2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide
CID 42721500

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylfuran-2-carboxamide?
The IUPAC name of N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylfuran-2-carboxamide (CID 42721625) is N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylfuran-2-carboxamide?
The canonical SMILES for N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylfuran-2-carboxamide is CCOc1ccc(-n2c(C(C)N(CC)C(=O)c3ccco3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylfuran-2-carboxamide?
The InChIKey is KEINOVIRSYRFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-4-27(25(30)22-11-8-16-32-22)17(3)23-26-21-10-7-6-9-20(21)24(29)28(23)18-12-14-19(15-13-18)31-5-2/h6-17H,4-5H2,1-3H3.
What are the key properties of N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylfuran-2-carboxamide?
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylfuran-2-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylfuran-2-carboxamide is sourced from PubChem (CID 42721625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).