2-imino-1-methanimidoyl-8-methoxy-N-methyl-N-phenylquinazolin-4-amine

C17H17N5O — CID 165380349

IUPAC2-imino-1-methanimidoyl-8-methoxy-N-methyl-N-phenylquinazolin-4-amine
SMILES[H]/N=C/n1/c(=N/[H])nc(N(C)c2ccccc2)c2cccc(OC)c21
InChIInChI=1S/C17H17N5O/c1-21(12-7-4-3-5-8-12)16-13-9-6-10-14(23-2)15(13)22(11-18)17(19)20-16/h3-11,18-19H,1-2H3/b18-11+,19-17+
InChIKeyANFQQCTZMXYUMK-HIIRIOHQSA-N
MW307.36 g/mol
LogP2.75
Rot. Bonds4

About 2-imino-1-methanimidoyl-8-methoxy-N-methyl-N-phenylquinazolin-4-amine

2-imino-1-methanimidoyl-8-methoxy-N-methyl-N-phenylquinazolin-4-amine (PubChem CID 165380349) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-imino-1-methanimidoyl-8-methoxy-N-methyl-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name2-imino-1-methanimidoyl-8-methoxy-N-methyl-N-phenylquinazolin-4-amine
PubChem CID165380349
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-imino-1-methanimidoyl-8-methoxy-N-methyl-N-phenylquinazolin-4-amine
SMILES[H]/N=C/n1/c(=N/[H])nc(N(C)c2ccccc2)c2cccc(OC)c21
InChIInChI=1S/C17H17N5O/c1-21(12-7-4-3-5-8-12)16-13-9-6-10-14(23-2)15(13)22(11-18)17(19)20-16/h3-11,18-19H,1-2H3/b18-11+,19-17+
InChIKeyANFQQCTZMXYUMK-HIIRIOHQSA-N
XLogP2.75
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-imino-1-methanimidoyl-7-methoxy-N-methyl-N-phenylquinazolin-4-amine
CID 156557254
2-imino-1-methanimidoyl-N-methyl-N-phenyl-7-(2-phenylethynyl)quinazolin-4-amine
CID 165380633
7-ethynyl-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine
CID 165380547
5-bromo-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine
CID 156557082
6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine
CID 165380268
3-[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]prop-2-yn-1-ol
CID 165380711
2-imino-1-methanimidoyl-N-methyl-N-phenyl-6-pyridin-4-ylquinazolin-4-amine
CID 156557085
2-imino-1-methanimidoyl-4-N-methyl-4-N-(3-phenylphenyl)quinazoline-4,7-diamine
CID 156800502
2-[[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]amino]ethanol
CID 156557084
1-[2-(dimethylamino)ethanimidoyl]-2-imino-N-methyl-N-phenylquinazolin-4-amine
CID 156800681
N-[3-(4-cyclopropylphenyl)phenyl]-6-fluoro-2-imino-1-methanimidoyl-N-methylquinazolin-4-amine
CID 165380741
7-chloro-2-imino-1-methanimidoyl-N-methyl-N-[3-(4-propan-2-ylphenyl)phenyl]quinazolin-4-amine
CID 165380685

Frequently Asked Questions

What is the IUPAC name of 2-imino-1-methanimidoyl-8-methoxy-N-methyl-N-phenylquinazolin-4-amine?
The IUPAC name of 2-imino-1-methanimidoyl-8-methoxy-N-methyl-N-phenylquinazolin-4-amine (CID 165380349) is 2-imino-1-methanimidoyl-8-methoxy-N-methyl-N-phenylquinazolin-4-amine.
What is the SMILES notation for 2-imino-1-methanimidoyl-8-methoxy-N-methyl-N-phenylquinazolin-4-amine?
The canonical SMILES for 2-imino-1-methanimidoyl-8-methoxy-N-methyl-N-phenylquinazolin-4-amine is [H]/N=C/n1/c(=N/[H])nc(N(C)c2ccccc2)c2cccc(OC)c21.
What is the InChIKey of 2-imino-1-methanimidoyl-8-methoxy-N-methyl-N-phenylquinazolin-4-amine?
The InChIKey is ANFQQCTZMXYUMK-HIIRIOHQSA-N. The full InChI is InChI=1S/C17H17N5O/c1-21(12-7-4-3-5-8-12)16-13-9-6-10-14(23-2)15(13)22(11-18)17(19)20-16/h3-11,18-19H,1-2H3/b18-11+,19-17+.
What are the key properties of 2-imino-1-methanimidoyl-8-methoxy-N-methyl-N-phenylquinazolin-4-amine?
2-imino-1-methanimidoyl-8-methoxy-N-methyl-N-phenylquinazolin-4-amine has a molecular weight of 307.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-methanimidoyl-8-methoxy-N-methyl-N-phenylquinazolin-4-amine is sourced from PubChem (CID 165380349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).