(2-chloro-7-methylquinolin-4-yl)methanamine

C11H11ClN2 — CID 115024953

IUPAC(2-chloro-7-methylquinolin-4-yl)methanamine
SMILESCc1ccc2c(CN)cc(Cl)nc2c1
InChIInChI=1S/C11H11ClN2/c1-7-2-3-9-8(6-13)5-11(12)14-10(9)4-7/h2-5H,6,13H2,1H3
InChIKeySSYJWAGAMOFTCQ-UHFFFAOYSA-N
MW206.68 g/mol
LogP2.66
Rot. Bonds1

About (2-chloro-7-methylquinolin-4-yl)methanamine

(2-chloro-7-methylquinolin-4-yl)methanamine (PubChem CID 115024953) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is (2-chloro-7-methylquinolin-4-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-7-methylquinolin-4-yl)methanamine
PubChem CID115024953
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name(2-chloro-7-methylquinolin-4-yl)methanamine
SMILESCc1ccc2c(CN)cc(Cl)nc2c1
InChIInChI=1S/C11H11ClN2/c1-7-2-3-9-8(6-13)5-11(12)14-10(9)4-7/h2-5H,6,13H2,1H3
InChIKeySSYJWAGAMOFTCQ-UHFFFAOYSA-N
XLogP2.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-chloro-7-methylquinolin-4-yl)methanamine 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

4-(chloromethyl)-2,7-dimethylquinoline
CID 23001553
ethyl 2-chloro-7-methylquinoline-4-carboxylate
CID 143772126
2-(aminomethyl)-3,7-dimethylquinazolin-4-one
CID 84777308
(4-tert-butyl-7-methylquinolin-3-yl)methanamine
CID 105485981
ethyl 1-(2-chloro-7-methylquinolin-4-yl)oxycyclobutane-1-carboxylate
CID 142191918
2,7-dimethylquinazolin-4-amine
CID 59095817
(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine
CID 82449533
(2,6-dimethylindazol-3-yl)methanamine
CID 84717621
(7-chloro-2-cyclopropyl-8-methylquinolin-4-yl)methanamine
CID 84632655
2-chloro-6-methylquinoline-4-carbonitrile
CID 83638097
(2-chloro-5-fluoroquinolin-7-yl)methanamine
CID 171502076
(4-chloro-2,6-dimethylquinolin-7-yl)methanamine
CID 141070723

Frequently Asked Questions

What is the IUPAC name of (2-chloro-7-methylquinolin-4-yl)methanamine?
The IUPAC name of (2-chloro-7-methylquinolin-4-yl)methanamine (CID 115024953) is (2-chloro-7-methylquinolin-4-yl)methanamine.
What is the SMILES notation for (2-chloro-7-methylquinolin-4-yl)methanamine?
The canonical SMILES for (2-chloro-7-methylquinolin-4-yl)methanamine is Cc1ccc2c(CN)cc(Cl)nc2c1.
What is the InChIKey of (2-chloro-7-methylquinolin-4-yl)methanamine?
The InChIKey is SSYJWAGAMOFTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-7-2-3-9-8(6-13)5-11(12)14-10(9)4-7/h2-5H,6,13H2,1H3.
What are the key properties of (2-chloro-7-methylquinolin-4-yl)methanamine?
(2-chloro-7-methylquinolin-4-yl)methanamine has a molecular weight of 206.68 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-7-methylquinolin-4-yl)methanamine is sourced from PubChem (CID 115024953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).