6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine

C18H19FN6 — CID 165380268

IUPAC6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine
SMILES[H]/N=C/n1/c(=N/[H])nc(N(C)c2ccccc2)c2cc(F)c(N(C)C)cc21
InChIInChI=1S/C18H19FN6/c1-23(2)16-10-15-13(9-14(16)19)17(22-18(21)25(15)11-20)24(3)12-7-5-4-6-8-12/h4-11,20-21H,1-3H3/b20-11+,21-18+
InChIKeyOXAHAXVPHYZJCT-IJYYVMIVSA-N
MW338.39 g/mol
LogP2.94
Rot. Bonds4

About 6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine

6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine (PubChem CID 165380268) has the molecular formula C18H19FN6 and a molecular weight of 338.39 g/mol. Its IUPAC name is 6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine.

Molecular Properties

Compound Name6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine
PubChem CID165380268
Molecular FormulaC18H19FN6
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC Name6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine
SMILES[H]/N=C/n1/c(=N/[H])nc(N(C)c2ccccc2)c2cc(F)c(N(C)C)cc21
InChIInChI=1S/C18H19FN6/c1-23(2)16-10-15-13(9-14(16)19)17(22-18(21)25(15)11-20)24(3)12-7-5-4-6-8-12/h4-11,20-21H,1-3H3/b20-11+,21-18+
InChIKeyOXAHAXVPHYZJCT-IJYYVMIVSA-N
XLogP2.94
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.94
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'}

Analyze 6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine with MolForge

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Related Compounds

2-imino-1-methanimidoyl-7-methoxy-N-methyl-N-phenylquinazolin-4-amine
CID 156557254
7-ethynyl-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine
CID 165380547
2-imino-1-methanimidoyl-N-methyl-N-phenyl-7-(2-phenylethynyl)quinazolin-4-amine
CID 165380633
2-imino-1-methanimidoyl-N-methyl-N-phenyl-6-pyridin-4-ylquinazolin-4-amine
CID 156557085
2-[[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]amino]ethanol
CID 156557084
3-[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]prop-2-yn-1-ol
CID 165380711
2-imino-1-methanimidoyl-4-N-methyl-4-N-(3-phenylphenyl)quinazoline-4,7-diamine
CID 156800502
5-bromo-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine
CID 156557082
2-imino-1-methanimidoyl-8-methoxy-N-methyl-N-phenylquinazolin-4-amine
CID 165380349
1-[2-[3-[(7-chloro-6-fluoro-2-imino-1-methanimidoylquinazolin-4-yl)-methylamino]phenyl]ethynyl]cyclopropan-1-ol
CID 165380682
[1-ethanimidoyl-6-fluoro-2-imino-4-(N-methylanilino)quinazolin-7-yl]methanol
CID 165380270
N-[3-(4-cyclopropylphenyl)phenyl]-6-fluoro-2-imino-1-methanimidoyl-N-methylquinazolin-4-amine
CID 165380741

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine?
The IUPAC name of 6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine (CID 165380268) is 6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine.
What is the SMILES notation for 6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine?
The canonical SMILES for 6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine is [H]/N=C/n1/c(=N/[H])nc(N(C)c2ccccc2)c2cc(F)c(N(C)C)cc21.
What is the InChIKey of 6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine?
The InChIKey is OXAHAXVPHYZJCT-IJYYVMIVSA-N. The full InChI is InChI=1S/C18H19FN6/c1-23(2)16-10-15-13(9-14(16)19)17(22-18(21)25(15)11-20)24(3)12-7-5-4-6-8-12/h4-11,20-21H,1-3H3/b20-11+,21-18+.
What are the key properties of 6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine?
6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine has a molecular weight of 338.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine is sourced from PubChem (CID 165380268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).