4-[[3-[(3-methyl-4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid

C28H27N5O4 — CID 140638560

IUPAC4-[[3-[(3-methyl-4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid
SMILESCc1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(=O)O)cccc34)c2)ccc1N1CCOCC1
InChIInChI=1S/C28H27N5O4/c1-18-14-20(8-9-24(18)33-10-12-37-13-11-33)27(34)32-21-5-2-4-19(15-21)16-29-26-22-6-3-7-23(28(35)36)25(22)30-17-31-26/h2-9,14-15,17H,10-13,16H2,1H3,(H,32,34)(H,35,36)(H,29,30,31)
InChIKeyGQCGRVFMXXCEFG-UHFFFAOYSA-N
MW497.56 g/mol
LogP4.34
Rot. Bonds7

About 4-[[3-[(3-methyl-4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid

4-[[3-[(3-methyl-4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid (PubChem CID 140638560) has the molecular formula C28H27N5O4 and a molecular weight of 497.56 g/mol. Its IUPAC name is 4-[[3-[(3-methyl-4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name4-[[3-[(3-methyl-4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid
PubChem CID140638560
Molecular FormulaC28H27N5O4
Molecular Weight497.56 g/mol
Exact Mass497.21
IUPAC Name4-[[3-[(3-methyl-4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid
SMILESCc1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(=O)O)cccc34)c2)ccc1N1CCOCC1
InChIInChI=1S/C28H27N5O4/c1-18-14-20(8-9-24(18)33-10-12-37-13-11-33)27(34)32-21-5-2-4-19(15-21)16-29-26-22-6-3-7-23(28(35)36)25(22)30-17-31-26/h2-9,14-15,17H,10-13,16H2,1H3,(H,32,34)(H,35,36)(H,29,30,31)
InChIKeyGQCGRVFMXXCEFG-UHFFFAOYSA-N
XLogP4.34
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[3-[(3-methyl-4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid with MolForge

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Related Compounds

N-(4-Carboxy-4-{4-[(2,4-diamino-quinazolin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid
CID 10030947
N-(4-Carboxy-4-{4-[(2,4-diamino-5-methyl-quinazolin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid
CID 11478803
ethyl 4-(3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxopyridin-1(2H)-yl)benzoate
CID 24879244
4-[[(1S)-2-methoxy-1-phenylethyl]amino]quinazoline-8-carboxamide
CID 66763057
4-[[1-[3-[(2,6-Difluorobenzoyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 46869182
4-[[3-[[4-(Hydroxymethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66762042
4-[[1-(3-Benzamidophenyl)-2-methoxyethyl]amino]quinazoline-8-carboxamide
CID 66762401
4-[[1-(3-Benzamidophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 66762598
4-[[3-[(4-Acetamidobenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66762837
6-(Hydroxymethyl)-4-({3-[(4-methoxybenzoyl)amino]benzyl}amino)quinazoline-8-carboxamide
CID 66763153
4-[[3-[[4-(Dimethylamino)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763393
4-[[3-[[6-[2-Methoxyethyl(methyl)amino]pyridine-3-carbonyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763531

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(3-methyl-4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid?
The IUPAC name of 4-[[3-[(3-methyl-4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid (CID 140638560) is 4-[[3-[(3-methyl-4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid.
What is the SMILES notation for 4-[[3-[(3-methyl-4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid?
The canonical SMILES for 4-[[3-[(3-methyl-4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid is Cc1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(=O)O)cccc34)c2)ccc1N1CCOCC1.
What is the InChIKey of 4-[[3-[(3-methyl-4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid?
The InChIKey is GQCGRVFMXXCEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O4/c1-18-14-20(8-9-24(18)33-10-12-37-13-11-33)27(34)32-21-5-2-4-19(15-21)16-29-26-22-6-3-7-23(28(35)36)25(22)30-17-31-26/h2-9,14-15,17H,10-13,16H2,1H3,(H,32,34)(H,35,36)(H,29,30,31).
What are the key properties of 4-[[3-[(3-methyl-4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid?
4-[[3-[(3-methyl-4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid has a molecular weight of 497.56 g/mol, XLogP of 4.34, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(3-methyl-4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid is sourced from PubChem (CID 140638560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).