4-[[3-[[2-(2-hydroxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid

C25H22N4O5 — CID 140638548

IUPAC4-[[3-[[2-(2-hydroxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid
SMILESO=C(Nc1cccc(CNc2ncnc3c(C(=O)O)cccc23)c1)c1ccccc1OCCO
InChIInChI=1S/C25H22N4O5/c30-11-12-34-21-10-2-1-7-18(21)24(31)29-17-6-3-5-16(13-17)14-26-23-19-8-4-9-20(25(32)33)22(19)27-15-28-23/h1-10,13,15,30H,11-12,14H2,(H,29,31)(H,32,33)(H,26,27,28)
InChIKeyZBOYRBGFZVAEIS-UHFFFAOYSA-N
MW458.47 g/mol
LogP3.56
Rot. Bonds9

About 4-[[3-[[2-(2-hydroxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid

4-[[3-[[2-(2-hydroxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid (PubChem CID 140638548) has the molecular formula C25H22N4O5 and a molecular weight of 458.47 g/mol. Its IUPAC name is 4-[[3-[[2-(2-hydroxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name4-[[3-[[2-(2-hydroxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid
PubChem CID140638548
Molecular FormulaC25H22N4O5
Molecular Weight458.47 g/mol
Exact Mass458.16
IUPAC Name4-[[3-[[2-(2-hydroxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid
SMILESO=C(Nc1cccc(CNc2ncnc3c(C(=O)O)cccc23)c1)c1ccccc1OCCO
InChIInChI=1S/C25H22N4O5/c30-11-12-34-21-10-2-1-7-18(21)24(31)29-17-6-3-5-16(13-17)14-26-23-19-8-4-9-20(25(32)33)22(19)27-15-28-23/h1-10,13,15,30H,11-12,14H2,(H,29,31)(H,32,33)(H,26,27,28)
InChIKeyZBOYRBGFZVAEIS-UHFFFAOYSA-N
XLogP3.56
TPSA133.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[[3-[[2-(2-hydroxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid 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

4-[[3-[[2-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763633
4-[[3-[[4-[3-(dimethylamino)propoxy]benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid
CID 140638634
4-[[3-(pyridin-2-ylamino)phenyl]methylamino]quinazoline-8-carboxylic acid
CID 140576324
4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid
CID 140638692
4-[[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid
CID 140638542
4-[[3-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66762042
4-[[3-[[3-(3-methoxypropoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763383
4-[[3-[[4-(1H-imidazol-2-yl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763542
4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxylic acid
CID 123614057
4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide
CID 66763206
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
tert-butyl N-[3-[[3-[[(8-carbamoylquinazolin-4-yl)amino]methyl]phenyl]carbamoyl]phenyl]-N-methylcarbamate
CID 66762340

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[2-(2-hydroxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid?
The IUPAC name of 4-[[3-[[2-(2-hydroxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid (CID 140638548) is 4-[[3-[[2-(2-hydroxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid.
What is the SMILES notation for 4-[[3-[[2-(2-hydroxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid?
The canonical SMILES for 4-[[3-[[2-(2-hydroxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid is O=C(Nc1cccc(CNc2ncnc3c(C(=O)O)cccc23)c1)c1ccccc1OCCO.
What is the InChIKey of 4-[[3-[[2-(2-hydroxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid?
The InChIKey is ZBOYRBGFZVAEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O5/c30-11-12-34-21-10-2-1-7-18(21)24(31)29-17-6-3-5-16(13-17)14-26-23-19-8-4-9-20(25(32)33)22(19)27-15-28-23/h1-10,13,15,30H,11-12,14H2,(H,29,31)(H,32,33)(H,26,27,28).
What are the key properties of 4-[[3-[[2-(2-hydroxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid?
4-[[3-[[2-(2-hydroxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid has a molecular weight of 458.47 g/mol, XLogP of 3.56, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[2-(2-hydroxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid is sourced from PubChem (CID 140638548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).