2-[3-(3-morpholin-4-ylpropyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid

C22H25N3O4 — CID 2815288

IUPAC2-[3-(3-morpholin-4-ylpropyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
SMILESO=C(O)c1ccccc1C1Nc2ccccc2C(=O)N1CCCN1CCOCC1
InChIInChI=1S/C22H25N3O4/c26-21-18-8-3-4-9-19(18)23-20(16-6-1-2-7-17(16)22(27)28)25(21)11-5-10-24-12-14-29-15-13-24/h1-4,6-9,20,23H,5,10-15H2,(H,27,28)
InChIKeyNECDRBSBZMQGEX-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.67
Rot. Bonds6

About 2-[3-(3-morpholin-4-ylpropyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid

2-[3-(3-morpholin-4-ylpropyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid (PubChem CID 2815288) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[3-(3-morpholin-4-ylpropyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[3-(3-morpholin-4-ylpropyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
PubChem CID2815288
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-[3-(3-morpholin-4-ylpropyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
SMILESO=C(O)c1ccccc1C1Nc2ccccc2C(=O)N1CCCN1CCOCC1
InChIInChI=1S/C22H25N3O4/c26-21-18-8-3-4-9-19(18)23-20(16-6-1-2-7-17(16)22(27)28)25(21)11-5-10-24-12-14-29-15-13-24/h1-4,6-9,20,23H,5,10-15H2,(H,27,28)
InChIKeyNECDRBSBZMQGEX-UHFFFAOYSA-N
XLogP2.67
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-morpholin-4-ylpropyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid?
The IUPAC name of 2-[3-(3-morpholin-4-ylpropyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid (CID 2815288) is 2-[3-(3-morpholin-4-ylpropyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid.
What is the SMILES notation for 2-[3-(3-morpholin-4-ylpropyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid?
The canonical SMILES for 2-[3-(3-morpholin-4-ylpropyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid is O=C(O)c1ccccc1C1Nc2ccccc2C(=O)N1CCCN1CCOCC1.
What is the InChIKey of 2-[3-(3-morpholin-4-ylpropyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid?
The InChIKey is NECDRBSBZMQGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-21-18-8-3-4-9-19(18)23-20(16-6-1-2-7-17(16)22(27)28)25(21)11-5-10-24-12-14-29-15-13-24/h1-4,6-9,20,23H,5,10-15H2,(H,27,28).
What are the key properties of 2-[3-(3-morpholin-4-ylpropyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid?
2-[3-(3-morpholin-4-ylpropyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid has a molecular weight of 395.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-morpholin-4-ylpropyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid is sourced from PubChem (CID 2815288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).