N-[1-[5-chloro-8-(4,4-difluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine

C21H20ClF2N7 — CID 53250533

IUPACN-[1-[5-chloro-8-(4,4-difluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cccnc2c1N1CCC(F)(F)CC1
InChIInChI=1S/C21H20ClF2N7/c1-12(30-20-17-19(27-10-26-17)28-11-29-20)14-9-15(22)13-3-2-6-25-16(13)18(14)31-7-4-21(23,24)5-8-31/h2-3,6,9-12H,4-5,7-8H2,1H3,(H2,26,27,28,29,30)
InChIKeyLDOJSZOUBVUYIQ-UHFFFAOYSA-N
MW443.89 g/mol
LogP4.96
Rot. Bonds4

About N-[1-[5-chloro-8-(4,4-difluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine

N-[1-[5-chloro-8-(4,4-difluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine (PubChem CID 53250533) has the molecular formula C21H20ClF2N7 and a molecular weight of 443.89 g/mol. Its IUPAC name is N-[1-[5-chloro-8-(4,4-difluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-[5-chloro-8-(4,4-difluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine
PubChem CID53250533
Molecular FormulaC21H20ClF2N7
Molecular Weight443.89 g/mol
Exact Mass443.14
IUPAC NameN-[1-[5-chloro-8-(4,4-difluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cccnc2c1N1CCC(F)(F)CC1
InChIInChI=1S/C21H20ClF2N7/c1-12(30-20-17-19(27-10-26-17)28-11-29-20)14-9-15(22)13-3-2-6-25-16(13)18(14)31-7-4-21(23,24)5-8-31/h2-3,6,9-12H,4-5,7-8H2,1H3,(H2,26,27,28,29,30)
InChIKeyLDOJSZOUBVUYIQ-UHFFFAOYSA-N
XLogP4.96
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[5-chloro-8-(4,4-difluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine with MolForge

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Related Compounds

(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
Bms-279700
CID 9844320
B-Raf inhibitor 1
CID 44223999
N-{1-[5-Chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl}-9H-purin-6-amine
CID 53235521
N-{(1s)-1-[8-Chloro-2-(3-Fluorophenyl)quinolin-3-Yl]ethyl}-9h-Purin-6-Amine
CID 57707893
N'-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)-N,N-di(propan-2-yl)ethane-1,2-diamine
CID 945022
2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine
CID 132274773
N-{(1s)-1-[8-Chloro-2-(2-Methylpyridin-3-Yl)quinolin-3-Yl]ethyl}-9h-Purin-6-Amine
CID 25071294
8-chloro-4-(4-methylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole
CID 940283
4-[(1S,5R)-6-[1-(6-chloro-1H-benzimidazol-2-yl)propyl]-3-bicyclo[3.1.0]hexanyl]-6-fluoroquinoline
CID 164611621
1-[3-(6-chloro-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine
CID 164614320
1-[3-(3-chloro-5-fluorophenyl)-5-(6-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 164627529

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-8-(4,4-difluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[1-[5-chloro-8-(4,4-difluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine (CID 53250533) is N-[1-[5-chloro-8-(4,4-difluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[1-[5-chloro-8-(4,4-difluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[1-[5-chloro-8-(4,4-difluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine is CC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cccnc2c1N1CCC(F)(F)CC1.
What is the InChIKey of N-[1-[5-chloro-8-(4,4-difluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine?
The InChIKey is LDOJSZOUBVUYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF2N7/c1-12(30-20-17-19(27-10-26-17)28-11-29-20)14-9-15(22)13-3-2-6-25-16(13)18(14)31-7-4-21(23,24)5-8-31/h2-3,6,9-12H,4-5,7-8H2,1H3,(H2,26,27,28,29,30).
What are the key properties of N-[1-[5-chloro-8-(4,4-difluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine?
N-[1-[5-chloro-8-(4,4-difluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine has a molecular weight of 443.89 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-8-(4,4-difluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 53250533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).