8-chloro-5-methyl-3-propan-2-ylquinolin-2-amine

C13H15ClN2 — CID 107629220

IUPAC8-chloro-5-methyl-3-propan-2-ylquinolin-2-amine
SMILESCc1ccc(Cl)c2nc(N)c(C(C)C)cc12
InChIInChI=1S/C13H15ClN2/c1-7(2)9-6-10-8(3)4-5-11(14)12(10)16-13(9)15/h4-7H,1-3H3,(H2,15,16)
InChIKeyQBOSTJBSBDSFLI-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.90
Rot. Bonds1

About 8-chloro-5-methyl-3-propan-2-ylquinolin-2-amine

8-chloro-5-methyl-3-propan-2-ylquinolin-2-amine (PubChem CID 107629220) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 8-chloro-5-methyl-3-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name8-chloro-5-methyl-3-propan-2-ylquinolin-2-amine
PubChem CID107629220
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name8-chloro-5-methyl-3-propan-2-ylquinolin-2-amine
SMILESCc1ccc(Cl)c2nc(N)c(C(C)C)cc12
InChIInChI=1S/C13H15ClN2/c1-7(2)9-6-10-8(3)4-5-11(14)12(10)16-13(9)15/h4-7H,1-3H3,(H2,15,16)
InChIKeyQBOSTJBSBDSFLI-UHFFFAOYSA-N
XLogP3.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8-chloro-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine
CID 107629269
8-chloro-N-ethyl-5-methyl-3-propan-2-ylquinolin-2-amine
CID 107629224
5-chloro-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine
CID 63232536
3,8-di(propan-2-yl)quinolin-2-amine
CID 63231952
5-bromo-8-methoxy-3-propan-2-ylquinolin-2-amine
CID 63232490
(8-bromo-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine
CID 82759562
4,5-dichloro-8-methyl-2-propan-2-ylquinoline
CID 43668547
1-(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)ethanamine
CID 82449539
6-chloro-4-propan-2-ylpyridazin-3-amine
CID 90133627
8-chloro-N-methyl-3-propan-2-yl-5-(trifluoromethyl)quinolin-2-amine
CID 63526110
ethane;1-methyl-4-propan-2-ylanthracene
CID 144783014
(5-chloro-3,8-dimethylquinolin-2-yl)methanamine
CID 82242202

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methyl-3-propan-2-ylquinolin-2-amine?
The IUPAC name of 8-chloro-5-methyl-3-propan-2-ylquinolin-2-amine (CID 107629220) is 8-chloro-5-methyl-3-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 8-chloro-5-methyl-3-propan-2-ylquinolin-2-amine?
The canonical SMILES for 8-chloro-5-methyl-3-propan-2-ylquinolin-2-amine is Cc1ccc(Cl)c2nc(N)c(C(C)C)cc12.
What is the InChIKey of 8-chloro-5-methyl-3-propan-2-ylquinolin-2-amine?
The InChIKey is QBOSTJBSBDSFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-7(2)9-6-10-8(3)4-5-11(14)12(10)16-13(9)15/h4-7H,1-3H3,(H2,15,16).
What are the key properties of 8-chloro-5-methyl-3-propan-2-ylquinolin-2-amine?
8-chloro-5-methyl-3-propan-2-ylquinolin-2-amine has a molecular weight of 234.73 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methyl-3-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 107629220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).