N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine

C16H16N4O2 — CID 71417770

IUPACN-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
SMILESCOc1ccc(CNc2nc(NO)nc3ccccc23)cc1
InChIInChI=1S/C16H16N4O2/c1-22-12-8-6-11(7-9-12)10-17-15-13-4-2-3-5-14(13)18-16(19-15)20-21/h2-9,21H,10H2,1H3,(H2,17,18,19,20)
InChIKeyMEJTUKHXVPTZMQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.05
Rot. Bonds5

About N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine

N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine (PubChem CID 71417770) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
PubChem CID71417770
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
SMILESCOc1ccc(CNc2nc(NO)nc3ccccc23)cc1
InChIInChI=1S/C16H16N4O2/c1-22-12-8-6-11(7-9-12)10-17-15-13-4-2-3-5-14(13)18-16(19-15)20-21/h2-9,21H,10H2,1H3,(H2,17,18,19,20)
InChIKeyMEJTUKHXVPTZMQ-UHFFFAOYSA-N
XLogP3.05
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine 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

2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine
CID 71690909
2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
CID 46850885
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine
CID 68518029
3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol
CID 68519751
2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylacetonitrile
CID 6616450
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 68518853
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
benzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate
CID 68517635
2-N-[2-(4-methoxyphenyl)ethyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963642

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine?
The IUPAC name of N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine (CID 71417770) is N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine?
The canonical SMILES for N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine is COc1ccc(CNc2nc(NO)nc3ccccc23)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine?
The InChIKey is MEJTUKHXVPTZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-22-12-8-6-11(7-9-12)10-17-15-13-4-2-3-5-14(13)18-16(19-15)20-21/h2-9,21H,10H2,1H3,(H2,17,18,19,20).
What are the key properties of N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine?
N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine has a molecular weight of 296.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine is sourced from PubChem (CID 71417770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).