(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline

C15H15N3O2 — CID 129404314

IUPAC(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline
SMILESC[C@H]1N[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2ccccc21
InChIInChI=1S/C15H15N3O2/c1-10-13-4-2-3-5-14(13)17-15(16-10)11-6-8-12(9-7-11)18(19)20/h2-10,15-17H,1H3/t10-,15-/m1/s1
InChIKeyOGCUASVESUFADR-MEBBXXQBSA-N
MW269.30 g/mol
LogP3.37
Rot. Bonds2

About (2R,4R)-4-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline

(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline (PubChem CID 129404314) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2R,4R)-4-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline.

Molecular Properties

Compound Name(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline
PubChem CID129404314
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline
SMILESC[C@H]1N[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2ccccc21
InChIInChI=1S/C15H15N3O2/c1-10-13-4-2-3-5-14(13)17-15(16-10)11-6-8-12(9-7-11)18(19)20/h2-10,15-17H,1H3/t10-,15-/m1/s1
InChIKeyOGCUASVESUFADR-MEBBXXQBSA-N
XLogP3.37
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.37
H-Bond Donors ≤ 52
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'}

Analyze (2R,4R)-4-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline 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

(2S,4S)-2-(3-nitrophenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
CID 129404329
3-(4-nitrophenyl)-1,3-dihydroindol-2-one
CID 112758281
(3aR,4S,9bS)-4-(4-nitrophenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline
CID 127045848
(3aS,4R,9bR)-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 26155145
(4aR,5R,10bR)-5-(4-nitrophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11243835
(1S,3R)-1-methyl-3-(4-nitrophenyl)-3,4-dihydro-1H-isochromene
CID 15425708
(2S)-6-nitro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
CID 129390666
2,8-dinitro-6,12-diphenyl-5,6,11,12-tetrahydrobenzo[c][1,5]benzodiazocine
CID 102254993
(4S,5R)-4-methyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 13307960
5-(4-nitrophenyl)-1,2,4-triazolidine-3-thione
CID 78348781
(2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
CID 129404319
6-(4-nitrophenyl)-2,4-diphenyl-1,2,4,5-tetrazinan-3-one
CID 10384845

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline?
The IUPAC name of (2R,4R)-4-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline (CID 129404314) is (2R,4R)-4-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline.
What is the SMILES notation for (2R,4R)-4-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline?
The canonical SMILES for (2R,4R)-4-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline is C[C@H]1N[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2ccccc21.
What is the InChIKey of (2R,4R)-4-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline?
The InChIKey is OGCUASVESUFADR-MEBBXXQBSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-13-4-2-3-5-14(13)17-15(16-10)11-6-8-12(9-7-11)18(19)20/h2-10,15-17H,1H3/t10-,15-/m1/s1.
What are the key properties of (2R,4R)-4-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline?
(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline has a molecular weight of 269.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline is sourced from PubChem (CID 129404314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).