2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazoline

C20H15N3O2 — CID 132933614

IUPAC2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazoline
SMILESO=[N+]([O-])c1ccc(C2N=C(c3ccccc3)c3ccccc3N2)cc1
InChIInChI=1S/C20H15N3O2/c24-23(25)16-12-10-15(11-13-16)20-21-18-9-5-4-8-17(18)19(22-20)14-6-2-1-3-7-14/h1-13,20-21H
InChIKeyUELFBDYHMPOPOL-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.56
Rot. Bonds3

About 2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazoline

2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazoline (PubChem CID 132933614) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazoline.

Molecular Properties

Compound Name2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazoline
PubChem CID132933614
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazoline
SMILESO=[N+]([O-])c1ccc(C2N=C(c3ccccc3)c3ccccc3N2)cc1
InChIInChI=1S/C20H15N3O2/c24-23(25)16-12-10-15(11-13-16)20-21-18-9-5-4-8-17(18)19(22-20)14-6-2-1-3-7-14/h1-13,20-21H
InChIKeyUELFBDYHMPOPOL-UHFFFAOYSA-N
XLogP4.56
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-nitrophenyl)-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea
CID 5279355
5-(4-nitrophenyl)-5,6-dihydrotetrazolo[1,5-c]quinazoline
CID 4522525
3-hydroxy-7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 616119
(2S)-3-[(2R)-butan-2-yl]-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9012010
(2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9012085
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
(6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 752491
2-[3-(9,9-dimethylthioxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-1,2-dihydroquinazoline
CID 166908729
5-(4-nitrophenyl)-2-phenyl-3-[(3-phenyl-1H-inden-1-yl)methyl]-1,5-dihydropyrazole
CID 101023359
bis(1-nitro-4-phenylbenzene);sulfur dioxide
CID 174751271
(2S,5S)-2-methyl-6-(4-nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 75539302

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazoline?
The IUPAC name of 2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazoline (CID 132933614) is 2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazoline.
What is the SMILES notation for 2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazoline?
The canonical SMILES for 2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazoline is O=[N+]([O-])c1ccc(C2N=C(c3ccccc3)c3ccccc3N2)cc1.
What is the InChIKey of 2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazoline?
The InChIKey is UELFBDYHMPOPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-23(25)16-12-10-15(11-13-16)20-21-18-9-5-4-8-17(18)19(22-20)14-6-2-1-3-7-14/h1-13,20-21H.
What are the key properties of 2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazoline?
2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazoline has a molecular weight of 329.36 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazoline is sourced from PubChem (CID 132933614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).