N'-[6-chloro-2-(2-fluorophenyl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine

C19H20ClFN4 — CID 59213757

IUPACN'-[6-chloro-2-(2-fluorophenyl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)c1nc(-c2ccccc2F)nc2ccc(Cl)cc12
InChIInChI=1S/C19H20ClFN4/c1-24(2)10-11-25(3)19-15-12-13(20)8-9-17(15)22-18(23-19)14-6-4-5-7-16(14)21/h4-9,12H,10-11H2,1-3H3
InChIKeyBQMCRLZPJJVYJK-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.09
Rot. Bonds5

About N'-[6-chloro-2-(2-fluorophenyl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine

N'-[6-chloro-2-(2-fluorophenyl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 59213757) has the molecular formula C19H20ClFN4 and a molecular weight of 358.85 g/mol. Its IUPAC name is N'-[6-chloro-2-(2-fluorophenyl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-chloro-2-(2-fluorophenyl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID59213757
Molecular FormulaC19H20ClFN4
Molecular Weight358.85 g/mol
Exact Mass358.14
IUPAC NameN'-[6-chloro-2-(2-fluorophenyl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)c1nc(-c2ccccc2F)nc2ccc(Cl)cc12
InChIInChI=1S/C19H20ClFN4/c1-24(2)10-11-25(3)19-15-12-13(20)8-9-17(15)22-18(23-19)14-6-4-5-7-16(14)21/h4-9,12H,10-11H2,1-3H3
InChIKeyBQMCRLZPJJVYJK-UHFFFAOYSA-N
XLogP4.09
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[6-chloro-2-(2-fluorophenyl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[6-chloro-2-(2-fluorophenyl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 59213757) is N'-[6-chloro-2-(2-fluorophenyl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[6-chloro-2-(2-fluorophenyl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[6-chloro-2-(2-fluorophenyl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)c1nc(-c2ccccc2F)nc2ccc(Cl)cc12.
What is the InChIKey of N'-[6-chloro-2-(2-fluorophenyl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is BQMCRLZPJJVYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4/c1-24(2)10-11-25(3)19-15-12-13(20)8-9-17(15)22-18(23-19)14-6-4-5-7-16(14)21/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N'-[6-chloro-2-(2-fluorophenyl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[6-chloro-2-(2-fluorophenyl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 358.85 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-chloro-2-(2-fluorophenyl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 59213757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).