7,8-dichloro-N-ethyl-3-propan-2-ylquinolin-2-amine

C14H16Cl2N2 — CID 63524899

IUPAC7,8-dichloro-N-ethyl-3-propan-2-ylquinolin-2-amine
SMILESCCNc1nc2c(Cl)c(Cl)ccc2cc1C(C)C
InChIInChI=1S/C14H16Cl2N2/c1-4-17-14-10(8(2)3)7-9-5-6-11(15)12(16)13(9)18-14/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyWHBUENNMYVZKEA-UHFFFAOYSA-N
MW283.20 g/mol
LogP5.10
Rot. Bonds3

About 7,8-dichloro-N-ethyl-3-propan-2-ylquinolin-2-amine

7,8-dichloro-N-ethyl-3-propan-2-ylquinolin-2-amine (PubChem CID 63524899) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 7,8-dichloro-N-ethyl-3-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name7,8-dichloro-N-ethyl-3-propan-2-ylquinolin-2-amine
PubChem CID63524899
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name7,8-dichloro-N-ethyl-3-propan-2-ylquinolin-2-amine
SMILESCCNc1nc2c(Cl)c(Cl)ccc2cc1C(C)C
InChIInChI=1S/C14H16Cl2N2/c1-4-17-14-10(8(2)3)7-9-5-6-11(15)12(16)13(9)18-14/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyWHBUENNMYVZKEA-UHFFFAOYSA-N
XLogP5.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.20
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine
CID 63524898
8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine
CID 63525062
8-chloro-N-ethyl-5-methyl-3-propan-2-ylquinolin-2-amine
CID 107629224
7-chloro-N-ethyl-6-methyl-3-propan-2-ylquinolin-2-amine
CID 104722127
N-ethyl-3-propan-2-yl-8-propoxyquinolin-2-amine
CID 63529541
5-chloro-N-ethyl-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine
CID 63525424
N-ethyl-8-(methoxymethyl)-3-propan-2-ylquinolin-2-amine
CID 55175771
N-ethyl-6,7,8-trifluoro-3-propan-2-ylquinolin-2-amine
CID 63231864
N-ethyl-3,6-di(propan-2-yl)quinolin-2-amine
CID 63525945
8-fluoro-3-propan-2-yl-N-propylquinolin-2-amine
CID 63524722
5-bromo-N-ethyl-6,8-difluoro-3-propan-2-ylquinolin-2-amine
CID 102855129
8-chloro-N-ethyl-3-propylquinolin-2-amine
CID 55224873

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-N-ethyl-3-propan-2-ylquinolin-2-amine?
The IUPAC name of 7,8-dichloro-N-ethyl-3-propan-2-ylquinolin-2-amine (CID 63524899) is 7,8-dichloro-N-ethyl-3-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 7,8-dichloro-N-ethyl-3-propan-2-ylquinolin-2-amine?
The canonical SMILES for 7,8-dichloro-N-ethyl-3-propan-2-ylquinolin-2-amine is CCNc1nc2c(Cl)c(Cl)ccc2cc1C(C)C.
What is the InChIKey of 7,8-dichloro-N-ethyl-3-propan-2-ylquinolin-2-amine?
The InChIKey is WHBUENNMYVZKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c1-4-17-14-10(8(2)3)7-9-5-6-11(15)12(16)13(9)18-14/h5-8H,4H2,1-3H3,(H,17,18).
What are the key properties of 7,8-dichloro-N-ethyl-3-propan-2-ylquinolin-2-amine?
7,8-dichloro-N-ethyl-3-propan-2-ylquinolin-2-amine has a molecular weight of 283.20 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-N-ethyl-3-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 63524899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).