7-chloro-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline

C20H25ClN2 — CID 98113090

IUPAC7-chloro-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline
SMILESCc1cc(N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)nc2cc(Cl)ccc12
InChIInChI=1S/C20H25ClN2/c1-13-7-18(22-17-8-14(21)5-6-16(13)17)23-12-20(4)10-15(23)9-19(2,3)11-20/h5-8,15H,9-12H2,1-4H3/t15-,20+/m0/s1
InChIKeyQKFQSLYTBAFQJG-MGPUTAFESA-N
MW328.89 g/mol
LogP5.60
Rot. Bonds1

About 7-chloro-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline

7-chloro-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline (PubChem CID 98113090) has the molecular formula C20H25ClN2 and a molecular weight of 328.89 g/mol. Its IUPAC name is 7-chloro-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline.

Molecular Properties

Compound Name7-chloro-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline
PubChem CID98113090
Molecular FormulaC20H25ClN2
Molecular Weight328.89 g/mol
Exact Mass328.17
IUPAC Name7-chloro-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline
SMILESCc1cc(N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)nc2cc(Cl)ccc12
InChIInChI=1S/C20H25ClN2/c1-13-7-18(22-17-8-14(21)5-6-16(13)17)23-12-20(4)10-15(23)9-19(2,3)11-20/h5-8,15H,9-12H2,1-4H3/t15-,20+/m0/s1
InChIKeyQKFQSLYTBAFQJG-MGPUTAFESA-N
XLogP5.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.89
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-chloro-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline with MolForge

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Related Compounds

8-methoxy-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline
CID 98114849
(1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 50937998
(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
CID 98671631
6-chloro-2-methyl-3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one
CID 98089157
2-(7-chloro-4-methylquinolin-2-yl)acetonitrile
CID 84622518
2-methyl-4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline-8-carboxylic acid
CID 11883837
4-chloro-5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyridazin-6-one
CID 82213986
4-[8-(2H-pyrrol-3-yl)-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1,7-naphthyridin-2-yl]morpholine
CID 148960361
1-(3,4-dimethylphenyl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol
CID 82215778
[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 23736823
4-(6-chloro-4-methylquinolin-2-yl)morpholine
CID 1477208
2-(2,4-dichlorophenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 110311776

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline?
The IUPAC name of 7-chloro-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline (CID 98113090) is 7-chloro-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline.
What is the SMILES notation for 7-chloro-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline?
The canonical SMILES for 7-chloro-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline is Cc1cc(N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline?
The InChIKey is QKFQSLYTBAFQJG-MGPUTAFESA-N. The full InChI is InChI=1S/C20H25ClN2/c1-13-7-18(22-17-8-14(21)5-6-16(13)17)23-12-20(4)10-15(23)9-19(2,3)11-20/h5-8,15H,9-12H2,1-4H3/t15-,20+/m0/s1.
What are the key properties of 7-chloro-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline?
7-chloro-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline has a molecular weight of 328.89 g/mol, XLogP of 5.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline is sourced from PubChem (CID 98113090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).