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

C23H20ClF3N6O — CID 164878838

IUPAC8-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]quinolin-2-amine
SMILESCOc1nc(N2CCNCC(F)(F)C2)c2cc(Cl)c(-c3cccc4ccc(N)nc34)c(F)c2n1
InChIInChI=1S/C23H20ClF3N6O/c1-34-22-31-20-14(21(32-22)33-8-7-29-10-23(26,27)11-33)9-15(24)17(18(20)25)13-4-2-3-12-5-6-16(28)30-19(12)13/h2-6,9,29H,7-8,10-11H2,1H3,(H2,28,30)
InChIKeyREIDEWCSZWBBND-UHFFFAOYSA-N
MW488.90 g/mol
LogP4.27
Rot. Bonds3

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

8-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]quinolin-2-amine (PubChem CID 164878838) has the molecular formula C23H20ClF3N6O and a molecular weight of 488.90 g/mol. Its IUPAC name is 8-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]quinolin-2-amine.

Molecular Properties

Compound Name8-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]quinolin-2-amine
PubChem CID164878838
Molecular FormulaC23H20ClF3N6O
Molecular Weight488.90 g/mol
Exact Mass488.13
IUPAC Name8-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]quinolin-2-amine
SMILESCOc1nc(N2CCNCC(F)(F)C2)c2cc(Cl)c(-c3cccc4ccc(N)nc34)c(F)c2n1
InChIInChI=1S/C23H20ClF3N6O/c1-34-22-31-20-14(21(32-22)33-8-7-29-10-23(26,27)11-33)9-15(24)17(18(20)25)13-4-2-3-12-5-6-16(28)30-19(12)13/h2-6,9,29H,7-8,10-11H2,1H3,(H2,28,30)
InChIKeyREIDEWCSZWBBND-UHFFFAOYSA-N
XLogP4.27
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.90
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]quinolin-2-amine with MolForge

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Related Compounds

6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
6-chloro-2-quinolin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine
CID 11374791
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-(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
N-(4-chlorophenyl)-2-piperazin-1-ylquinazolin-4-amine
CID 122187399

Frequently Asked Questions

What is the IUPAC name of 8-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]quinolin-2-amine?
The IUPAC name of 8-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]quinolin-2-amine (CID 164878838) is 8-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]quinolin-2-amine.
What is the SMILES notation for 8-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]quinolin-2-amine?
The canonical SMILES for 8-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]quinolin-2-amine is COc1nc(N2CCNCC(F)(F)C2)c2cc(Cl)c(-c3cccc4ccc(N)nc34)c(F)c2n1.
What is the InChIKey of 8-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]quinolin-2-amine?
The InChIKey is REIDEWCSZWBBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N6O/c1-34-22-31-20-14(21(32-22)33-8-7-29-10-23(26,27)11-33)9-15(24)17(18(20)25)13-4-2-3-12-5-6-16(28)30-19(12)13/h2-6,9,29H,7-8,10-11H2,1H3,(H2,28,30).
What are the key properties of 8-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]quinolin-2-amine?
8-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]quinolin-2-amine has a molecular weight of 488.90 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-chloro-4-(6,6-difluoro-1,4-diazepan-1-yl)-8-fluoro-2-methoxyquinazolin-7-yl]quinolin-2-amine is sourced from PubChem (CID 164878838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).