1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine

C16H15FN4 — CID 154515167

IUPAC1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine
SMILESFCCNc1ccc(Nc2ncc3ccccc3n2)cc1
InChIInChI=1S/C16H15FN4/c17-9-10-18-13-5-7-14(8-6-13)20-16-19-11-12-3-1-2-4-15(12)21-16/h1-8,11,18H,9-10H2,(H,19,20,21)
InChIKeyKZJVZFCGNGRGEP-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.75
Rot. Bonds5

About 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine

1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine (PubChem CID 154515167) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine
PubChem CID154515167
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine
SMILESFCCNc1ccc(Nc2ncc3ccccc3n2)cc1
InChIInChI=1S/C16H15FN4/c17-9-10-18-13-5-7-14(8-6-13)20-16-19-11-12-3-1-2-4-15(12)21-16/h1-8,11,18H,9-10H2,(H,19,20,21)
InChIKeyKZJVZFCGNGRGEP-UHFFFAOYSA-N
XLogP3.75
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-prop-2-enylphenyl)quinazolin-2-amine
CID 174758474
N'-quinazolin-2-ylethane-1,2-diamine
CID 114788771
N-(4-pyrazol-1-ylphenyl)quinazolin-2-amine
CID 150460233
2-anilino-N-quinazolin-2-ylacetamide
CID 174985574
N-(2-ethylphenyl)quinazolin-2-amine
CID 23056755
N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine
CID 114788824
4-[(quinazolin-2-ylamino)methyl]phenol
CID 114789330
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine
CID 175725425
1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine
CID 141314561
N-(2-cyclobutylethyl)quinazolin-2-amine
CID 114789293
N-[(4-aminophenyl)methyl]quinazolin-2-amine
CID 114789553
1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine?
The IUPAC name of 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine (CID 154515167) is 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine is FCCNc1ccc(Nc2ncc3ccccc3n2)cc1.
What is the InChIKey of 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine?
The InChIKey is KZJVZFCGNGRGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c17-9-10-18-13-5-7-14(8-6-13)20-16-19-11-12-3-1-2-4-15(12)21-16/h1-8,11,18H,9-10H2,(H,19,20,21).
What are the key properties of 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine?
1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine has a molecular weight of 282.32 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 154515167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).