2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine

C16H17N5O — CID 11702079

IUPAC2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(NN)nc3ccccc23)cc1
InChIInChI=1S/C16H17N5O/c1-21(11-7-9-12(22-2)10-8-11)15-13-5-3-4-6-14(13)18-16(19-15)20-17/h3-10H,17H2,1-2H3,(H,18,19,20)
InChIKeyPHVLAAFKDCNURX-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.69
Rot. Bonds4

About 2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine

2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (PubChem CID 11702079) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
PubChem CID11702079
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(NN)nc3ccccc23)cc1
InChIInChI=1S/C16H17N5O/c1-21(11-7-9-12(22-2)10-8-11)15-13-5-3-4-6-14(13)18-16(19-15)20-17/h3-10H,17H2,1-2H3,(H,18,19,20)
InChIKeyPHVLAAFKDCNURX-UHFFFAOYSA-N
XLogP2.69
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]methyl]benzaldehyde
CID 143778192
2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 80798383
6-fluoro-2-hydrazinyl-N-methyl-N-phenylquinazolin-4-amine
CID 156536311
2-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 11418622
N-benzyl-2-hydrazinyl-N-methylquinazolin-4-amine
CID 80909730
methyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate
CID 71063625
tert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate
CID 59237266
2-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine
CID 127043185
N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine
CID 80894230
2-[(2-hydrazinylquinazolin-4-yl)-methylamino]ethanol
CID 80943316
[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methyl-triphenylphosphanium chloride
CID 87600940
N'-(2-hydrazinylquinazolin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 80909502

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (CID 11702079) is 2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine is COc1ccc(N(C)c2nc(NN)nc3ccccc23)cc1.
What is the InChIKey of 2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The InChIKey is PHVLAAFKDCNURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-21(11-7-9-12(22-2)10-8-11)15-13-5-3-4-6-14(13)18-16(19-15)20-17/h3-10H,17H2,1-2H3,(H,18,19,20).
What are the key properties of 2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine has a molecular weight of 295.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 11702079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).