4-chloro-7-fluoro-2-methyl-3-propan-2-ylquinoline

C13H13ClFN — CID 103996066

IUPAC4-chloro-7-fluoro-2-methyl-3-propan-2-ylquinoline
SMILESCc1nc2cc(F)ccc2c(Cl)c1C(C)C
InChIInChI=1S/C13H13ClFN/c1-7(2)12-8(3)16-11-6-9(15)4-5-10(11)13(12)14/h4-7H,1-3H3
InChIKeyBWVWMKLQYSNEDE-UHFFFAOYSA-N
MW237.70 g/mol
LogP4.46
Rot. Bonds1

About 4-chloro-7-fluoro-2-methyl-3-propan-2-ylquinoline

4-chloro-7-fluoro-2-methyl-3-propan-2-ylquinoline (PubChem CID 103996066) has the molecular formula C13H13ClFN and a molecular weight of 237.70 g/mol. Its IUPAC name is 4-chloro-7-fluoro-2-methyl-3-propan-2-ylquinoline.

Molecular Properties

Compound Name4-chloro-7-fluoro-2-methyl-3-propan-2-ylquinoline
PubChem CID103996066
Molecular FormulaC13H13ClFN
Molecular Weight237.70 g/mol
Exact Mass237.07
IUPAC Name4-chloro-7-fluoro-2-methyl-3-propan-2-ylquinoline
SMILESCc1nc2cc(F)ccc2c(Cl)c1C(C)C
InChIInChI=1S/C13H13ClFN/c1-7(2)12-8(3)16-11-6-9(15)4-5-10(11)13(12)14/h4-7H,1-3H3
InChIKeyBWVWMKLQYSNEDE-UHFFFAOYSA-N
XLogP4.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.70
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline
CID 62913699
4-chloro-5,7-difluoro-2-methyl-3-propan-2-ylquinoline
CID 63409144
3-butan-2-yl-2,4-dichloro-7-fluoroquinoline
CID 90781060
3-chloro-7-fluoro-2-methylquinolin-4-amine
CID 121236696
6-tert-butyl-4-chloro-2-methyl-3-propan-2-ylquinoline
CID 63408659
4-(4-fluorophenyl)-2-methyl-3-propan-2-ylquinolin-7-ol
CID 156880462
4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline
CID 63409240
6-fluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine
CID 62913667
6-fluoro-3-methyl-2-propan-2-ylquinoxaline
CID 90949663
4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline
CID 63409043
1-(2-chloro-7-fluoroquinazolin-4-yl)ethanamine
CID 105483432
3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236507

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-2-methyl-3-propan-2-ylquinoline?
The IUPAC name of 4-chloro-7-fluoro-2-methyl-3-propan-2-ylquinoline (CID 103996066) is 4-chloro-7-fluoro-2-methyl-3-propan-2-ylquinoline.
What is the SMILES notation for 4-chloro-7-fluoro-2-methyl-3-propan-2-ylquinoline?
The canonical SMILES for 4-chloro-7-fluoro-2-methyl-3-propan-2-ylquinoline is Cc1nc2cc(F)ccc2c(Cl)c1C(C)C.
What is the InChIKey of 4-chloro-7-fluoro-2-methyl-3-propan-2-ylquinoline?
The InChIKey is BWVWMKLQYSNEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN/c1-7(2)12-8(3)16-11-6-9(15)4-5-10(11)13(12)14/h4-7H,1-3H3.
What are the key properties of 4-chloro-7-fluoro-2-methyl-3-propan-2-ylquinoline?
4-chloro-7-fluoro-2-methyl-3-propan-2-ylquinoline has a molecular weight of 237.70 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-2-methyl-3-propan-2-ylquinoline is sourced from PubChem (CID 103996066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).