8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine

C14H17ClN2 — CID 63525062

IUPAC8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine
SMILESCCNc1nc2c(Cl)cccc2cc1C(C)C
InChIInChI=1S/C14H17ClN2/c1-4-16-14-11(9(2)3)8-10-6-5-7-12(15)13(10)17-14/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyCOLPVFFEKNEKBC-UHFFFAOYSA-N
MW248.76 g/mol
LogP4.44
Rot. Bonds3

About 8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine

8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine (PubChem CID 63525062) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine
PubChem CID63525062
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine
SMILESCCNc1nc2c(Cl)cccc2cc1C(C)C
InChIInChI=1S/C14H17ClN2/c1-4-16-14-11(9(2)3)8-10-6-5-7-12(15)13(10)17-14/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyCOLPVFFEKNEKBC-UHFFFAOYSA-N
XLogP4.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,8-dichloro-N-ethyl-3-propan-2-ylquinolin-2-amine
CID 63524899
8-chloro-N-ethyl-3-propylquinolin-2-amine
CID 55224873
N-ethyl-8-(methoxymethyl)-3-propan-2-ylquinolin-2-amine
CID 55175771
N-ethyl-3-propan-2-yl-8-propoxyquinolin-2-amine
CID 63529541
8-chloro-N-ethyl-5-methyl-3-propan-2-ylquinolin-2-amine
CID 107629224
8-fluoro-3-propan-2-yl-N-propylquinolin-2-amine
CID 63524722
N-methyl-3-propan-2-yl-8-propylquinolin-2-amine
CID 63524556
7-chloro-N-ethyl-6-methyl-3-propan-2-ylquinolin-2-amine
CID 104722127
1-[[[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]amino]methyl]cyclopropan-1-ol
CID 66822196
3-[(1S)-1-aminoethyl]-8-chloro-N-[(1-oxidopyridin-1-ium-2-yl)methyl]quinolin-2-amine;dihydrochloride
CID 160645456
3-tert-butyl-8-chloro-N-propylquinolin-2-amine
CID 55184386
N-ethyl-6,7,8-trifluoro-3-propan-2-ylquinolin-2-amine
CID 63231864

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine?
The IUPAC name of 8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine (CID 63525062) is 8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine?
The canonical SMILES for 8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine is CCNc1nc2c(Cl)cccc2cc1C(C)C.
What is the InChIKey of 8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine?
The InChIKey is COLPVFFEKNEKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-4-16-14-11(9(2)3)8-10-6-5-7-12(15)13(10)17-14/h5-9H,4H2,1-3H3,(H,16,17).
What are the key properties of 8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine?
8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine has a molecular weight of 248.76 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 63525062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).