cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline

C19H24N2O2 — CID 158504598

IUPACcyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
SMILESCc1cc(N2CCCC2)c2ccccc2n1.O=C(O)C1CCC1
InChIInChI=1S/C14H16N2.C5H8O2/c1-11-10-14(16-8-4-5-9-16)12-6-2-3-7-13(12)15-11;6-5(7)4-2-1-3-4/h2-3,6-7,10H,4-5,8-9H2,1H3;4H,1-3H2,(H,6,7)
InChIKeyHKHWGZGMTRWWAO-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.01
Rot. Bonds2

About cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline

cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline (PubChem CID 158504598) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline.

Molecular Properties

Compound Namecyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
PubChem CID158504598
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Namecyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
SMILESCc1cc(N2CCCC2)c2ccccc2n1.O=C(O)C1CCC1
InChIInChI=1S/C14H16N2.C5H8O2/c1-11-10-14(16-8-4-5-9-16)12-6-2-3-7-13(12)15-11;6-5(7)4-2-1-3-4/h2-3,6-7,10H,4-5,8-9H2,1H3;4H,1-3H2,(H,6,7)
InChIKeyHKHWGZGMTRWWAO-UHFFFAOYSA-N
XLogP4.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline 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

methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 115538397
methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
CID 78983917
5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid
CID 122106797
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 63721046
4-piperidin-1-ylquinoline-2-carboxylic acid
CID 55222187
2-methyl-4-piperidin-1-ylquinoline-6-carboxylic acid
CID 7137984
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
[1-(2-methylquinolin-4-yl)piperidin-2-yl]methanol
CID 60716376
butyl 3-[4-(2-methylquinolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 172745007
4-[4-(2-bromoethyl)-1,4-diazepan-1-yl]-2-methylquinoline
CID 80670661
4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylquinoline
CID 133448347

Frequently Asked Questions

What is the IUPAC name of cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline?
The IUPAC name of cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline (CID 158504598) is cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline.
What is the SMILES notation for cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline?
The canonical SMILES for cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline is Cc1cc(N2CCCC2)c2ccccc2n1.O=C(O)C1CCC1.
What is the InChIKey of cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline?
The InChIKey is HKHWGZGMTRWWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.C5H8O2/c1-11-10-14(16-8-4-5-9-16)12-6-2-3-7-13(12)15-11;6-5(7)4-2-1-3-4/h2-3,6-7,10H,4-5,8-9H2,1H3;4H,1-3H2,(H,6,7).
What are the key properties of cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline?
cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline has a molecular weight of 312.41 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline is sourced from PubChem (CID 158504598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).