2-[2-ethoxy-4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenoxy]-N,N-dimethylpropanamide

C27H29N3O4 — CID 46802844

IUPAC2-[2-ethoxy-4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenoxy]-N,N-dimethylpropanamide
SMILESCCOc1cc(C2Nc3ccccc3C(=O)N2c2ccccc2)ccc1OC(C)C(=O)N(C)C
InChIInChI=1S/C27H29N3O4/c1-5-33-24-17-19(15-16-23(24)34-18(2)26(31)29(3)4)25-28-22-14-10-9-13-21(22)27(32)30(25)20-11-7-6-8-12-20/h6-18,25,28H,5H2,1-4H3
InChIKeyAXOWRKRUHUATTF-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.71
Rot. Bonds7

About 2-[2-ethoxy-4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenoxy]-N,N-dimethylpropanamide

2-[2-ethoxy-4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenoxy]-N,N-dimethylpropanamide (PubChem CID 46802844) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenoxy]-N,N-dimethylpropanamide
PubChem CID46802844
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC Name2-[2-ethoxy-4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenoxy]-N,N-dimethylpropanamide
SMILESCCOc1cc(C2Nc3ccccc3C(=O)N2c2ccccc2)ccc1OC(C)C(=O)N(C)C
InChIInChI=1S/C27H29N3O4/c1-5-33-24-17-19(15-16-23(24)34-18(2)26(31)29(3)4)25-28-22-14-10-9-13-21(22)27(32)30(25)20-11-7-6-8-12-20/h6-18,25,28H,5H2,1-4H3
InChIKeyAXOWRKRUHUATTF-UHFFFAOYSA-N
XLogP4.71
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-ethoxy-4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenoxy]-N,N-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
CID 3791606
2-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
CID 4315101
(2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9006981
(2S)-3-[(2S)-butan-2-yl]-2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,2-dihydroquinazolin-4-one
CID 9008382
2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 658545
2-[5-bromo-2-ethoxy-4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid
CID 1017596
2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid
CID 9006689
ethyl 2-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]benzoate
CID 3717295
(2R)-3-[(2R)-butan-2-yl]-2-(4-ethoxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008099
N-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide
CID 2887852
(2S)-3-[(2S)-butan-2-yl]-2-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008003
3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 2853469

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[2-ethoxy-4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenoxy]-N,N-dimethylpropanamide (CID 46802844) is 2-[2-ethoxy-4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[2-ethoxy-4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[2-ethoxy-4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenoxy]-N,N-dimethylpropanamide is CCOc1cc(C2Nc3ccccc3C(=O)N2c2ccccc2)ccc1OC(C)C(=O)N(C)C.
What is the InChIKey of 2-[2-ethoxy-4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenoxy]-N,N-dimethylpropanamide?
The InChIKey is AXOWRKRUHUATTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-5-33-24-17-19(15-16-23(24)34-18(2)26(31)29(3)4)25-28-22-14-10-9-13-21(22)27(32)30(25)20-11-7-6-8-12-20/h6-18,25,28H,5H2,1-4H3.
What are the key properties of 2-[2-ethoxy-4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenoxy]-N,N-dimethylpropanamide?
2-[2-ethoxy-4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenoxy]-N,N-dimethylpropanamide has a molecular weight of 459.55 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 46802844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).