6-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-4-methylpyridin-2-amine

C20H20ClF3N6O — CID 164878573

IUPAC6-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-4-methylpyridin-2-amine
SMILESCOc1nc(N2CCNCC(F)(F)C2)c2cc(Cl)c(-c3cc(C)cc(N)n3)c(F)c2n1
InChIInChI=1S/C20H20ClF3N6O/c1-10-5-13(27-14(25)6-10)15-12(21)7-11-17(16(15)22)28-19(31-2)29-18(11)30-4-3-26-8-20(23,24)9-30/h5-7,26H,3-4,8-9H2,1-2H3,(H2,25,27)
InChIKeyWKRQNBQLZSAIEV-UHFFFAOYSA-N
MW452.87 g/mol
LogP3.43
Rot. Bonds3

About 6-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-4-methylpyridin-2-amine

6-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-4-methylpyridin-2-amine (PubChem CID 164878573) has the molecular formula C20H20ClF3N6O and a molecular weight of 452.87 g/mol. Its IUPAC name is 6-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-4-methylpyridin-2-amine
PubChem CID164878573
Molecular FormulaC20H20ClF3N6O
Molecular Weight452.87 g/mol
Exact Mass452.13
IUPAC Name6-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-4-methylpyridin-2-amine
SMILESCOc1nc(N2CCNCC(F)(F)C2)c2cc(Cl)c(-c3cc(C)cc(N)n3)c(F)c2n1
InChIInChI=1S/C20H20ClF3N6O/c1-10-5-13(27-14(25)6-10)15-12(21)7-11-17(16(15)22)28-19(31-2)29-18(11)30-4-3-26-8-20(23,24)9-30/h5-7,26H,3-4,8-9H2,1-2H3,(H2,25,27)
InChIKeyWKRQNBQLZSAIEV-UHFFFAOYSA-N
XLogP3.43
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.87
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-4-methylpyridin-2-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
6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine
CID 25178132
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-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 25178937
6-chloro-N-[(3,4-difluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 25179122
6-chloro-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 25179300
N'-[6-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine
CID 71255589
N''-{6-chloro-2-[(E)-2-(4-fluorophenyl)vinyl]quinazolin-4-yl}-N,N-dimethylpropane-1,3-diamine
CID 90647152
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

Frequently Asked Questions

What is the IUPAC name of 6-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-4-methylpyridin-2-amine (CID 164878573) is 6-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-4-methylpyridin-2-amine is COc1nc(N2CCNCC(F)(F)C2)c2cc(Cl)c(-c3cc(C)cc(N)n3)c(F)c2n1.
What is the InChIKey of 6-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-4-methylpyridin-2-amine?
The InChIKey is WKRQNBQLZSAIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N6O/c1-10-5-13(27-14(25)6-10)15-12(21)7-11-17(16(15)22)28-19(31-2)29-18(11)30-4-3-26-8-20(23,24)9-30/h5-7,26H,3-4,8-9H2,1-2H3,(H2,25,27).
What are the key properties of 6-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-4-methylpyridin-2-amine?
6-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-4-methylpyridin-2-amine has a molecular weight of 452.87 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-4-methylpyridin-2-amine is sourced from PubChem (CID 164878573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).