4-(3-chloro-2-methylprop-1-enyl)-2-methylquinoline

C14H14ClN — CID 79324274

IUPAC4-(3-chloro-2-methylprop-1-enyl)-2-methylquinoline
SMILESCC(=Cc1cc(C)nc2ccccc12)CCl
InChIInChI=1S/C14H14ClN/c1-10(9-15)7-12-8-11(2)16-14-6-4-3-5-13(12)14/h3-8H,9H2,1-2H3
InChIKeyJPMAOHLNTPXQAF-UHFFFAOYSA-N
MW231.73 g/mol
LogP4.19
Rot. Bonds2

About 4-(3-chloro-2-methylprop-1-enyl)-2-methylquinoline

4-(3-chloro-2-methylprop-1-enyl)-2-methylquinoline (PubChem CID 79324274) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 4-(3-chloro-2-methylprop-1-enyl)-2-methylquinoline.

Molecular Properties

Compound Name4-(3-chloro-2-methylprop-1-enyl)-2-methylquinoline
PubChem CID79324274
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name4-(3-chloro-2-methylprop-1-enyl)-2-methylquinoline
SMILESCC(=Cc1cc(C)nc2ccccc12)CCl
InChIInChI=1S/C14H14ClN/c1-10(9-15)7-12-8-11(2)16-14-6-4-3-5-13(12)14/h3-8H,9H2,1-2H3
InChIKeyJPMAOHLNTPXQAF-UHFFFAOYSA-N
XLogP4.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(E)-3-methyl-4-(2-methylquinolin-4-yl)but-3-en-2-ol
CID 103091314
(E)-3-methyl-4-(2-methylquinolin-4-yl)-N-propylbut-3-en-2-amine
CID 103093547
2-methyl-4-(2-methylbut-2-enyl)quinoline
CID 123480246
2-methyl-4-prop-1-enylquinoline
CID 73094462
4-[(Z)-3-chloro-2-methylprop-1-enyl]isoquinoline
CID 104505376
3-(2-methylquinolin-4-yl)prop-2-en-1-amine
CID 79234972
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
tert-butyl (E)-3-(2-methylquinolin-4-yl)prop-2-enoate
CID 11086802
(2-methylquinolin-4-yl)methanethiol
CID 79885955
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide
CID 43146054
2-methylquinolin-4-amine
CID 162035180

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylprop-1-enyl)-2-methylquinoline?
The IUPAC name of 4-(3-chloro-2-methylprop-1-enyl)-2-methylquinoline (CID 79324274) is 4-(3-chloro-2-methylprop-1-enyl)-2-methylquinoline.
What is the SMILES notation for 4-(3-chloro-2-methylprop-1-enyl)-2-methylquinoline?
The canonical SMILES for 4-(3-chloro-2-methylprop-1-enyl)-2-methylquinoline is CC(=Cc1cc(C)nc2ccccc12)CCl.
What is the InChIKey of 4-(3-chloro-2-methylprop-1-enyl)-2-methylquinoline?
The InChIKey is JPMAOHLNTPXQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-10(9-15)7-12-8-11(2)16-14-6-4-3-5-13(12)14/h3-8H,9H2,1-2H3.
What are the key properties of 4-(3-chloro-2-methylprop-1-enyl)-2-methylquinoline?
4-(3-chloro-2-methylprop-1-enyl)-2-methylquinoline has a molecular weight of 231.73 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylprop-1-enyl)-2-methylquinoline is sourced from PubChem (CID 79324274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).