2-(3-hydroxy-5-imino-1-phenyl-2H-pyrrol-4-yl)-3H-quinazolin-4-one

C18H14N4O2 — CID 135408346

IUPAC2-(3-hydroxy-5-imino-1-phenyl-2H-pyrrol-4-yl)-3H-quinazolin-4-one
SMILES[H]/N=C1/C(c2nc3ccccc3c(=O)[nH]2)=C(O)CN1c1ccccc1
InChIInChI=1S/C18H14N4O2/c19-16-15(14(23)10-22(16)11-6-2-1-3-7-11)17-20-13-9-5-4-8-12(13)18(24)21-17/h1-9,19,23H,10H2,(H,20,21,24)/b19-16-
InChIKeyOXCCNGGUOJSRBL-MNDPQUGUSA-N
MW318.34 g/mol
LogP2.69
Rot. Bonds2

About 2-(3-hydroxy-5-imino-1-phenyl-2H-pyrrol-4-yl)-3H-quinazolin-4-one

2-(3-hydroxy-5-imino-1-phenyl-2H-pyrrol-4-yl)-3H-quinazolin-4-one (PubChem CID 135408346) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-(3-hydroxy-5-imino-1-phenyl-2H-pyrrol-4-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-hydroxy-5-imino-1-phenyl-2H-pyrrol-4-yl)-3H-quinazolin-4-one
PubChem CID135408346
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name2-(3-hydroxy-5-imino-1-phenyl-2H-pyrrol-4-yl)-3H-quinazolin-4-one
SMILES[H]/N=C1/C(c2nc3ccccc3c(=O)[nH]2)=C(O)CN1c1ccccc1
InChIInChI=1S/C18H14N4O2/c19-16-15(14(23)10-22(16)11-6-2-1-3-7-11)17-20-13-9-5-4-8-12(13)18(24)21-17/h1-9,19,23H,10H2,(H,20,21,24)/b19-16-
InChIKeyOXCCNGGUOJSRBL-MNDPQUGUSA-N
XLogP2.69
TPSA93.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Methaqualone
CID 6292
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
2-Phenyl-4(3H)-Quinazolinone
CID 135400456
3-phenyl-3H-quinazolin-4-one
CID 785275
Arborine
CID 63123
2,3-Diphenyl-4(3H)-quinazolinone
CID 248040
3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5377595
2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}quinazolin-4(3H)-one
CID 135446758
2-[4-(dimethylamino)phenyl]-4(3H)-quinazolinone
CID 135460530
3(4H)-Quinazolineacetamide, 4-oxo-N-phenyl-
CID 742756
3-Phenyl-2-methylquinazolin-4-one
CID 63378
4(3H)-Quinazolinone, 2-((4-phenyl-1-piperazinyl)methyl)-
CID 135399488

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-5-imino-1-phenyl-2H-pyrrol-4-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3-hydroxy-5-imino-1-phenyl-2H-pyrrol-4-yl)-3H-quinazolin-4-one (CID 135408346) is 2-(3-hydroxy-5-imino-1-phenyl-2H-pyrrol-4-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-hydroxy-5-imino-1-phenyl-2H-pyrrol-4-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-hydroxy-5-imino-1-phenyl-2H-pyrrol-4-yl)-3H-quinazolin-4-one is [H]/N=C1/C(c2nc3ccccc3c(=O)[nH]2)=C(O)CN1c1ccccc1.
What is the InChIKey of 2-(3-hydroxy-5-imino-1-phenyl-2H-pyrrol-4-yl)-3H-quinazolin-4-one?
The InChIKey is OXCCNGGUOJSRBL-MNDPQUGUSA-N. The full InChI is InChI=1S/C18H14N4O2/c19-16-15(14(23)10-22(16)11-6-2-1-3-7-11)17-20-13-9-5-4-8-12(13)18(24)21-17/h1-9,19,23H,10H2,(H,20,21,24)/b19-16-.
What are the key properties of 2-(3-hydroxy-5-imino-1-phenyl-2H-pyrrol-4-yl)-3H-quinazolin-4-one?
2-(3-hydroxy-5-imino-1-phenyl-2H-pyrrol-4-yl)-3H-quinazolin-4-one has a molecular weight of 318.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-5-imino-1-phenyl-2H-pyrrol-4-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 135408346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).