N-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C15H16N4O2 — CID 62190595

IUPACN-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1CCCC2
InChIInChI=1S/C15H16N4O2/c1-16-15-12-4-2-3-5-13(12)17-14(18-15)10-6-8-11(9-7-10)19(20)21/h6-9H,2-5H2,1H3,(H,16,17,18)
InChIKeyAZGGHNIMLQGVRF-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.97
Rot. Bonds3

About N-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 62190595) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID62190595
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1CCCC2
InChIInChI=1S/C15H16N4O2/c1-16-15-12-4-2-3-5-13(12)17-14(18-15)10-6-8-11(9-7-10)19(20)21/h6-9H,2-5H2,1H3,(H,16,17,18)
InChIKeyAZGGHNIMLQGVRF-UHFFFAOYSA-N
XLogP2.97
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 62190595) is N-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine is CNc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1CCCC2.
What is the InChIKey of N-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is AZGGHNIMLQGVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-16-15-12-4-2-3-5-13(12)17-14(18-15)10-6-8-11(9-7-10)19(20)21/h6-9H,2-5H2,1H3,(H,16,17,18).
What are the key properties of N-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 284.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 62190595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).