3-[6-chloro-8-fluoro-7-(2-fluoro-6-methylphenyl)-4-piperazin-1-ylquinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine

C24H28ClF2N5O — CID 145378323

IUPAC3-[6-chloro-8-fluoro-7-(2-fluoro-6-methylphenyl)-4-piperazin-1-ylquinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCc1cccc(F)c1-c1c(Cl)cc2c(N3CCNCC3)nc(OCCCN(C)C)nc2c1F
InChIInChI=1S/C24H28ClF2N5O/c1-15-6-4-7-18(26)19(15)20-17(25)14-16-22(21(20)27)29-24(33-13-5-10-31(2)3)30-23(16)32-11-8-28-9-12-32/h4,6-7,14,28H,5,8-13H2,1-3H3
InChIKeyGPEVSLZYJJEOIY-UHFFFAOYSA-N
MW475.97 g/mol
LogP4.28
Rot. Bonds7

About 3-[6-chloro-8-fluoro-7-(2-fluoro-6-methylphenyl)-4-piperazin-1-ylquinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine

3-[6-chloro-8-fluoro-7-(2-fluoro-6-methylphenyl)-4-piperazin-1-ylquinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 145378323) has the molecular formula C24H28ClF2N5O and a molecular weight of 475.97 g/mol. Its IUPAC name is 3-[6-chloro-8-fluoro-7-(2-fluoro-6-methylphenyl)-4-piperazin-1-ylquinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[6-chloro-8-fluoro-7-(2-fluoro-6-methylphenyl)-4-piperazin-1-ylquinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID145378323
Molecular FormulaC24H28ClF2N5O
Molecular Weight475.97 g/mol
Exact Mass475.20
IUPAC Name3-[6-chloro-8-fluoro-7-(2-fluoro-6-methylphenyl)-4-piperazin-1-ylquinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCc1cccc(F)c1-c1c(Cl)cc2c(N3CCNCC3)nc(OCCCN(C)C)nc2c1F
InChIInChI=1S/C24H28ClF2N5O/c1-15-6-4-7-18(26)19(15)20-17(25)14-16-22(21(20)27)29-24(33-13-5-10-31(2)3)30-23(16)32-11-8-28-9-12-32/h4,6-7,14,28H,5,8-13H2,1-3H3
InChIKeyGPEVSLZYJJEOIY-UHFFFAOYSA-N
XLogP4.28
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.97
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[6-chloro-8-fluoro-7-(2-fluoro-6-methylphenyl)-4-piperazin-1-ylquinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine 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

6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)quinazolin-4-amine
CID 25178131
N-[(4-aminophenyl)methyl]-6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 25178341
6-chloro-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 25178342
6-chloro-N-[(3,4-difluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 25179122
N''-{6-chloro-2-[(E)-2-(4-isopropylphenyl)vinyl]quinazolin-4-yl}-N,N-dimethylpropane-1,3-diamine
CID 121453039
N''-{6-chloro-2-[(E)-2-(4-isopropylphenyl)vinyl]quinazolin-4-yl}-N,N-diethylethane-1,2-diamine
CID 121453082
N''-{6-chloro-2-[(E)-2-(4-isopropylphenyl)vinyl]quinazolin-4-yl}-N,N-dimethylethane-1,2-diamine
CID 121453145
6-chloro-N-{5-[2-(morpholin-4-yl)ethyl]-1,3,5-triazinan-2-ylidene}-4-phenylquinazolin-2-amine
CID 663484
6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 25178339
N-benzyl-6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 25178933
2-N-(4-chloro-3-fluorophenyl)-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine;dihydrochloride
CID 137655715

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-8-fluoro-7-(2-fluoro-6-methylphenyl)-4-piperazin-1-ylquinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[6-chloro-8-fluoro-7-(2-fluoro-6-methylphenyl)-4-piperazin-1-ylquinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine (CID 145378323) is 3-[6-chloro-8-fluoro-7-(2-fluoro-6-methylphenyl)-4-piperazin-1-ylquinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[6-chloro-8-fluoro-7-(2-fluoro-6-methylphenyl)-4-piperazin-1-ylquinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[6-chloro-8-fluoro-7-(2-fluoro-6-methylphenyl)-4-piperazin-1-ylquinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine is Cc1cccc(F)c1-c1c(Cl)cc2c(N3CCNCC3)nc(OCCCN(C)C)nc2c1F.
What is the InChIKey of 3-[6-chloro-8-fluoro-7-(2-fluoro-6-methylphenyl)-4-piperazin-1-ylquinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is GPEVSLZYJJEOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClF2N5O/c1-15-6-4-7-18(26)19(15)20-17(25)14-16-22(21(20)27)29-24(33-13-5-10-31(2)3)30-23(16)32-11-8-28-9-12-32/h4,6-7,14,28H,5,8-13H2,1-3H3.
What are the key properties of 3-[6-chloro-8-fluoro-7-(2-fluoro-6-methylphenyl)-4-piperazin-1-ylquinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine?
3-[6-chloro-8-fluoro-7-(2-fluoro-6-methylphenyl)-4-piperazin-1-ylquinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 475.97 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-8-fluoro-7-(2-fluoro-6-methylphenyl)-4-piperazin-1-ylquinazolin-2-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 145378323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).