7-chloro-6-fluoro-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine

C16H13ClFN5 — CID 165380266

IUPAC7-chloro-6-fluoro-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine
SMILES[H]/N=C/n1/c(=N/[H])nc(N(C)c2ccccc2)c2cc(F)c(Cl)cc21
InChIInChI=1S/C16H13ClFN5/c1-22(10-5-3-2-4-6-10)15-11-7-13(18)12(17)8-14(11)23(9-19)16(20)21-15/h2-9,19-20H,1H3/b19-9+,20-16+
InChIKeyMJGLLXRKUPBHPJ-TZFJVSSNSA-N
MW329.77 g/mol
LogP3.53
Rot. Bonds3

About 7-chloro-6-fluoro-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine

7-chloro-6-fluoro-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine (PubChem CID 165380266) has the molecular formula C16H13ClFN5 and a molecular weight of 329.77 g/mol. Its IUPAC name is 7-chloro-6-fluoro-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-6-fluoro-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine
PubChem CID165380266
Molecular FormulaC16H13ClFN5
Molecular Weight329.77 g/mol
Exact Mass329.08
IUPAC Name7-chloro-6-fluoro-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine
SMILES[H]/N=C/n1/c(=N/[H])nc(N(C)c2ccccc2)c2cc(F)c(Cl)cc21
InChIInChI=1S/C16H13ClFN5/c1-22(10-5-3-2-4-6-10)15-11-7-13(18)12(17)8-14(11)23(9-19)16(20)21-15/h2-9,19-20H,1H3/b19-9+,20-16+
InChIKeyMJGLLXRKUPBHPJ-TZFJVSSNSA-N
XLogP3.53
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one
CID 150331522
MAT2A inhibitor 3
CID 150703860
7-Chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
CID 155899145
7-Chloro-4-(dimethylamino)quinazolin-2-ol
CID 133054303
1-(3-Chlorophenyl)-6-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 427454
7-Chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one
CID 166627659
7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one
CID 166629570
7-chloro-5-fluoro-4-(methylamino)-1-phenyl-quinazolin-2(1H)-one
CID 149637393
7-Chloro-4-(cyclopropylmethylamino)-1-(3-fluorophenyl)hydroquinazolin-2-one
CID 150174446
7-chloro-4((2,2-difluoroethyl)amino)-1-phenyl-quinazolin-2 (1H)-one
CID 151690232
4-(Dimethylamino)-7-chloro-1-(4-fluorophenyl)-hydroquinazolin-2-one
CID 152022594
7-chloro-6-fluoro-4-(methylamino)-1-phenyl-quinazolin-2(1H)-one
CID 152443211

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine?
The IUPAC name of 7-chloro-6-fluoro-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine (CID 165380266) is 7-chloro-6-fluoro-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine.
What is the SMILES notation for 7-chloro-6-fluoro-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine?
The canonical SMILES for 7-chloro-6-fluoro-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine is [H]/N=C/n1/c(=N/[H])nc(N(C)c2ccccc2)c2cc(F)c(Cl)cc21.
What is the InChIKey of 7-chloro-6-fluoro-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine?
The InChIKey is MJGLLXRKUPBHPJ-TZFJVSSNSA-N. The full InChI is InChI=1S/C16H13ClFN5/c1-22(10-5-3-2-4-6-10)15-11-7-13(18)12(17)8-14(11)23(9-19)16(20)21-15/h2-9,19-20H,1H3/b19-9+,20-16+.
What are the key properties of 7-chloro-6-fluoro-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine?
7-chloro-6-fluoro-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine has a molecular weight of 329.77 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine is sourced from PubChem (CID 165380266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).