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

C13H14Cl2N2 — CID 63524898

IUPAC7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine
SMILESCNc1nc2c(Cl)c(Cl)ccc2cc1C(C)C
InChIInChI=1S/C13H14Cl2N2/c1-7(2)9-6-8-4-5-10(14)11(15)12(8)17-13(9)16-3/h4-7H,1-3H3,(H,16,17)
InChIKeyCZNRCKYZMJRCCT-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.71
Rot. Bonds2

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

7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine (PubChem CID 63524898) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine
PubChem CID63524898
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine
SMILESCNc1nc2c(Cl)c(Cl)ccc2cc1C(C)C
InChIInChI=1S/C13H14Cl2N2/c1-7(2)9-6-8-4-5-10(14)11(15)12(8)17-13(9)16-3/h4-7H,1-3H3,(H,16,17)
InChIKeyCZNRCKYZMJRCCT-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,8-dichloro-N-ethyl-3-propan-2-ylquinolin-2-amine
CID 63524899
8-chloro-N-methyl-3-propan-2-yl-5-(trifluoromethyl)quinolin-2-amine
CID 63526110
N-methyl-3-propan-2-yl-8-(trifluoromethyl)quinolin-2-amine
CID 63232729
N-methyl-3-propan-2-yl-8-propylquinolin-2-amine
CID 63524556
N-methyl-8-phenyl-3-propan-2-ylquinolin-2-amine
CID 63525584
8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine
CID 63525062
2,7,8-trichloro-3-methylquinoline
CID 63232184
5,7,8-trifluoro-N-methyl-3-propan-2-ylquinolin-2-amine
CID 63232395
(8-chloro-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine
CID 107629269
(7,8-difluoro-3-propan-2-ylquinolin-2-yl)hydrazine
CID 63233124
8-chloro-N-ethyl-5-methyl-3-propan-2-ylquinolin-2-amine
CID 107629224
N-methyl-6-phenyl-3-propan-2-ylquinolin-2-amine
CID 63524884

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine?
The IUPAC name of 7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine (CID 63524898) is 7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine?
The canonical SMILES for 7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine is CNc1nc2c(Cl)c(Cl)ccc2cc1C(C)C.
What is the InChIKey of 7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine?
The InChIKey is CZNRCKYZMJRCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-7(2)9-6-8-4-5-10(14)11(15)12(8)17-13(9)16-3/h4-7H,1-3H3,(H,16,17).
What are the key properties of 7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine?
7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine has a molecular weight of 269.18 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 63524898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).