methyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate

C15H15ClN2O2 — CID 67775458

IUPACmethyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(Cl)c(N3CCCC3)c2c1
InChIInChI=1S/C15H15ClN2O2/c1-20-15(19)10-4-5-13-11(8-10)14(12(16)9-17-13)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyDTEZRRMTRFJNSQ-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.28
Rot. Bonds2

About methyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate

methyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate (PubChem CID 67775458) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is methyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate
PubChem CID67775458
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Namemethyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(Cl)c(N3CCCC3)c2c1
InChIInChI=1S/C15H15ClN2O2/c1-20-15(19)10-4-5-13-11(8-10)14(12(16)9-17-13)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyDTEZRRMTRFJNSQ-UHFFFAOYSA-N
XLogP3.28
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-chloro-4-methylquinoline-6-carboxylate
CID 67961110
methyl 3,4-dichloroquinoline-6-carboxylate
CID 67773511
methyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate
CID 67961180
methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate
CID 67961149
methyl 1-amino-4-chloroisoquinoline-6-carboxylate
CID 118660585
methyl 1-(2-ethylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline-8-carboxylate
CID 174556500
methyl 2-chloroquinoxaline-6-carboxylate
CID 131395472
3,6-dichloro-4-piperazin-1-ylquinoline
CID 121236121
methyl 4-(6-chloro-3-cyanoquinolin-4-yl)piperazine-1-carboxylate
CID 133319825
5-methoxycarbonyl-2-pyrrolidin-1-ylbenzoic acid
CID 168515414
methyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate
CID 67960959
methyl 3-chloro-4-(pyrrolidin-1-ylmethyl)benzoate
CID 21182738

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate?
The IUPAC name of methyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate (CID 67775458) is methyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate.
What is the SMILES notation for methyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate?
The canonical SMILES for methyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate is COC(=O)c1ccc2ncc(Cl)c(N3CCCC3)c2c1.
What is the InChIKey of methyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate?
The InChIKey is DTEZRRMTRFJNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-20-15(19)10-4-5-13-11(8-10)14(12(16)9-17-13)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of methyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate?
methyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate has a molecular weight of 290.75 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate is sourced from PubChem (CID 67775458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).