4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline

C15H17ClN2 — CID 63180046

IUPAC4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline
SMILESCc1nc2ccc(N3CCCC3)cc2c(Cl)c1C
InChIInChI=1S/C15H17ClN2/c1-10-11(2)17-14-6-5-12(9-13(14)15(10)16)18-7-3-4-8-18/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyCKLLOBYCXKYODA-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.11
Rot. Bonds1

About 4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline

4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline (PubChem CID 63180046) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline.

Molecular Properties

Compound Name4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline
PubChem CID63180046
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline
SMILESCc1nc2ccc(N3CCCC3)cc2c(Cl)c1C
InChIInChI=1S/C15H17ClN2/c1-10-11(2)17-14-6-5-12(9-13(14)15(10)16)18-7-3-4-8-18/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyCKLLOBYCXKYODA-UHFFFAOYSA-N
XLogP4.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-ethyl-3-methyl-6-pyrrolidin-1-ylquinoline
CID 63561695
4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline
CID 63409043
3-ethyl-2-methyl-6-piperidin-1-ylquinolin-4-amine
CID 63180512
4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-ylquinoline
CID 55158641
2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylquinoline
CID 170001559
ethyl 4-chloro-6-pyrrolidin-1-ylquinoline-3-carboxylate
CID 63180358
2-methyl-N-propyl-6-pyrrolidin-1-ylquinolin-4-amine
CID 63180985
2-chloro-N-cyclopropyl-6-pyrrolidin-1-ylquinazolin-4-amine
CID 114693340
2-methyl-6-piperidin-1-ylquinoline
CID 82242491
4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinoline-3-carbaldehyde
CID 143782236
4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline
CID 114591349
4,7-dichloro-2,3,6-trimethylquinoline
CID 104722009

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline?
The IUPAC name of 4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline (CID 63180046) is 4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline.
What is the SMILES notation for 4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline?
The canonical SMILES for 4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline is Cc1nc2ccc(N3CCCC3)cc2c(Cl)c1C.
What is the InChIKey of 4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline?
The InChIKey is CKLLOBYCXKYODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-10-11(2)17-14-6-5-12(9-13(14)15(10)16)18-7-3-4-8-18/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline?
4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline has a molecular weight of 260.77 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline is sourced from PubChem (CID 63180046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).