2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine

C17H17FN4O — CID 91964242

IUPAC2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
SMILESCOCCNc1nc(Nc2cccc(F)c2)nc2ccccc12
InChIInChI=1S/C17H17FN4O/c1-23-10-9-19-16-14-7-2-3-8-15(14)21-17(22-16)20-13-6-4-5-12(18)11-13/h2-8,11H,9-10H2,1H3,(H2,19,20,21,22)
InChIKeyUNZMYNFYQZMXOP-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.57
Rot. Bonds6

About 2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine

2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine (PubChem CID 91964242) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
PubChem CID91964242
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
SMILESCOCCNc1nc(Nc2cccc(F)c2)nc2ccccc12
InChIInChI=1S/C17H17FN4O/c1-23-10-9-19-16-14-7-2-3-8-15(14)21-17(22-16)20-13-6-4-5-12(18)11-13/h2-8,11H,9-10H2,1H3,(H2,19,20,21,22)
InChIKeyUNZMYNFYQZMXOP-UHFFFAOYSA-N
XLogP3.57
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91964049
2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91963816
3-[[4-(3-methoxypropylamino)quinazolin-2-yl]amino]benzoic acid
CID 91963329
2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol
CID 91963677
2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963152
2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine
CID 91966173
3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride
CID 53351223
2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol
CID 50944549
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
CID 46224524
2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 80771309
2-N-(2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963224

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine (CID 91964242) is 2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine is COCCNc1nc(Nc2cccc(F)c2)nc2ccccc12.
What is the InChIKey of 2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine?
The InChIKey is UNZMYNFYQZMXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-23-10-9-19-16-14-7-2-3-8-15(14)21-17(22-16)20-13-6-4-5-12(18)11-13/h2-8,11H,9-10H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine?
2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine has a molecular weight of 312.35 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 91964242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).