4-oxo-3-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]phthalazine-1-carboxylic acid

C19H14N4O4 — CID 135819550

IUPAC4-oxo-3-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]phthalazine-1-carboxylic acid
SMILESC[C@H](c1nc2ccccc2c(=O)[nH]1)n1nc(C(=O)O)c2ccccc2c1=O
InChIInChI=1S/C19H14N4O4/c1-10(16-20-14-9-5-4-8-13(14)17(24)21-16)23-18(25)12-7-3-2-6-11(12)15(22-23)19(26)27/h2-10H,1H3,(H,26,27)(H,20,21,24)/t10-/m1/s1
InChIKeyZXMXBMPNUVBCOF-SNVBAGLBSA-N
MW362.35 g/mol
LogP1.94
Rot. Bonds3

About 4-oxo-3-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]phthalazine-1-carboxylic acid

4-oxo-3-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]phthalazine-1-carboxylic acid (PubChem CID 135819550) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is 4-oxo-3-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]phthalazine-1-carboxylic acid.

Molecular Properties

Compound Name4-oxo-3-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]phthalazine-1-carboxylic acid
PubChem CID135819550
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC Name4-oxo-3-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]phthalazine-1-carboxylic acid
SMILESC[C@H](c1nc2ccccc2c(=O)[nH]1)n1nc(C(=O)O)c2ccccc2c1=O
InChIInChI=1S/C19H14N4O4/c1-10(16-20-14-9-5-4-8-13(14)17(24)21-16)23-18(25)12-7-3-2-6-11(12)15(22-23)19(26)27/h2-10H,1H3,(H,26,27)(H,20,21,24)/t10-/m1/s1
InChIKeyZXMXBMPNUVBCOF-SNVBAGLBSA-N
XLogP1.94
TPSA117.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
CID 135406762
2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135952975
2-[1-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136912907
N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide
CID 137132952
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135620653
1-(4-oxo-3H-quinazolin-2-yl)ethyl 4-oxo-3-pentylphthalazine-1-carboxylate
CID 135990204
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-butyl-4-oxophthalazine-1-carboxylate
CID 135831444
2-(dimethoxymethyl)-3H-quinazolin-4-one
CID 135453675
2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135997912
2-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]-3H-quinazolin-4-one
CID 135612968
2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-3H-quinazolin-4-one
CID 135726942
1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide
CID 135751825

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]phthalazine-1-carboxylic acid?
The IUPAC name of 4-oxo-3-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]phthalazine-1-carboxylic acid (CID 135819550) is 4-oxo-3-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]phthalazine-1-carboxylic acid.
What is the SMILES notation for 4-oxo-3-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]phthalazine-1-carboxylic acid?
The canonical SMILES for 4-oxo-3-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]phthalazine-1-carboxylic acid is C[C@H](c1nc2ccccc2c(=O)[nH]1)n1nc(C(=O)O)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-3-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]phthalazine-1-carboxylic acid?
The InChIKey is ZXMXBMPNUVBCOF-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H14N4O4/c1-10(16-20-14-9-5-4-8-13(14)17(24)21-16)23-18(25)12-7-3-2-6-11(12)15(22-23)19(26)27/h2-10H,1H3,(H,26,27)(H,20,21,24)/t10-/m1/s1.
What are the key properties of 4-oxo-3-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]phthalazine-1-carboxylic acid?
4-oxo-3-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]phthalazine-1-carboxylic acid has a molecular weight of 362.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]phthalazine-1-carboxylic acid is sourced from PubChem (CID 135819550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).