2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine

C19H18N4O3 — CID 1318726

IUPAC2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
SMILESO=[N+]([O-])c1cccc(-c2nc(NC[C@H]3CCCO3)c3ccccc3n2)c1
InChIInChI=1S/C19H18N4O3/c24-23(25)14-6-3-5-13(11-14)18-21-17-9-2-1-8-16(17)19(22-18)20-12-15-7-4-10-26-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,20,21,22)/t15-/m1/s1
InChIKeyFYRUYOJJMQELLD-OAHLLOKOSA-N
MW350.38 g/mol
LogP3.80
Rot. Bonds5

About 2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine

2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine (PubChem CID 1318726) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
PubChem CID1318726
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
SMILESO=[N+]([O-])c1cccc(-c2nc(NC[C@H]3CCCO3)c3ccccc3n2)c1
InChIInChI=1S/C19H18N4O3/c24-23(25)14-6-3-5-13(11-14)18-21-17-9-2-1-8-16(17)19(22-18)20-12-15-7-4-10-26-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,20,21,22)/t15-/m1/s1
InChIKeyFYRUYOJJMQELLD-OAHLLOKOSA-N
XLogP3.80
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine 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

N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848
2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 715619
2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 731357
2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 2928261
6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 117090820
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
CID 3156007
2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine
CID 705353
2-N-(3-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride
CID 2951909
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride
CID 53351083
tert-butyl 3-[[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]methyl]benzoate
CID 166357526
2-N-(4-chloro-2-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 56729091
2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 56729090

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine (CID 1318726) is 2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine is O=[N+]([O-])c1cccc(-c2nc(NC[C@H]3CCCO3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine?
The InChIKey is FYRUYOJJMQELLD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-23(25)14-6-3-5-13(11-14)18-21-17-9-2-1-8-16(17)19(22-18)20-12-15-7-4-10-26-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,20,21,22)/t15-/m1/s1.
What are the key properties of 2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine?
2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine has a molecular weight of 350.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 1318726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).