2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic acid

C22H23ClN4O4 — CID 170753493

IUPAC2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic acid
SMILESCC(Nc1ccccc1C(=O)O)c1cc(Cl)cc2c(=O)n(C)c(N3CCOCC3)nc12
InChIInChI=1S/C22H23ClN4O4/c1-13(24-18-6-4-3-5-15(18)21(29)30)16-11-14(23)12-17-19(16)25-22(26(2)20(17)28)27-7-9-31-10-8-27/h3-6,11-13,24H,7-10H2,1-2H3,(H,29,30)
InChIKeyAVRCQJNPPIKTRQ-UHFFFAOYSA-N
MW442.90 g/mol
LogP3.29
Rot. Bonds5

About 2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic acid

2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic acid (PubChem CID 170753493) has the molecular formula C22H23ClN4O4 and a molecular weight of 442.90 g/mol. Its IUPAC name is 2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic acid
PubChem CID170753493
Molecular FormulaC22H23ClN4O4
Molecular Weight442.90 g/mol
Exact Mass442.14
IUPAC Name2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic acid
SMILESCC(Nc1ccccc1C(=O)O)c1cc(Cl)cc2c(=O)n(C)c(N3CCOCC3)nc12
InChIInChI=1S/C22H23ClN4O4/c1-13(24-18-6-4-3-5-15(18)21(29)30)16-11-14(23)12-17-19(16)25-22(26(2)20(17)28)27-7-9-31-10-8-27/h3-6,11-13,24H,7-10H2,1-2H3,(H,29,30)
InChIKeyAVRCQJNPPIKTRQ-UHFFFAOYSA-N
XLogP3.29
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic 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

2-[[(1S)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]benzoic acid
CID 170753200
2-[[(1R)-1-(6-methoxy-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]benzoic acid
CID 170753384
5-chloro-2-[[(1R)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]benzoic acid
CID 170753327
2-[[(1R)-1-(5-fluoro-3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]benzoic acid
CID 170753181
8-[1-[2-(2-hydroxyacetyl)anilino]ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753581
2-[[(1R)-1-(6-chloro-4-cyano-2-morpholin-4-ylquinolin-8-yl)ethyl]amino]benzoic acid
CID 175992727
2-[1-[2-(4,4-difluoropiperidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]benzoic acid
CID 169212672
2-[1-[3,6-dimethyl-2-(4-methylpiperidin-1-yl)-4-oxoquinazolin-8-yl]ethylamino]benzoic acid
CID 170753388
2-[1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]-4-fluorobenzoic acid
CID 170753603
2-[1-[6-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methyl-4-oxoquinazolin-8-yl]ethylamino]benzoic acid
CID 169212707
4-[[(1R)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]thiophene-3-carboxylic acid
CID 170754055
2-[1-[3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)-4-oxoquinazolin-8-yl]ethylamino]benzoic acid
CID 170753923

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic acid?
The IUPAC name of 2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic acid (CID 170753493) is 2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic acid.
What is the SMILES notation for 2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic acid?
The canonical SMILES for 2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic acid is CC(Nc1ccccc1C(=O)O)c1cc(Cl)cc2c(=O)n(C)c(N3CCOCC3)nc12.
What is the InChIKey of 2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic acid?
The InChIKey is AVRCQJNPPIKTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O4/c1-13(24-18-6-4-3-5-15(18)21(29)30)16-11-14(23)12-17-19(16)25-22(26(2)20(17)28)27-7-9-31-10-8-27/h3-6,11-13,24H,7-10H2,1-2H3,(H,29,30).
What are the key properties of 2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic acid?
2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic acid has a molecular weight of 442.90 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic acid is sourced from PubChem (CID 170753493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).