pyrrolidin-3-yl 3,4-dihydro-2H-quinoline-1-carboxylate

C14H18N2O2 — CID 142775986

IUPACpyrrolidin-3-yl 3,4-dihydro-2H-quinoline-1-carboxylate
SMILESO=C(OC1CCNC1)N1CCCc2ccccc21
InChIInChI=1S/C14H18N2O2/c17-14(18-12-7-8-15-10-12)16-9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,12,15H,3,5,7-10H2
InChIKeyMMRYYMDGJVPJBR-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.94
Rot. Bonds1

About pyrrolidin-3-yl 3,4-dihydro-2H-quinoline-1-carboxylate

pyrrolidin-3-yl 3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 142775986) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is pyrrolidin-3-yl 3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Namepyrrolidin-3-yl 3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID142775986
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Namepyrrolidin-3-yl 3,4-dihydro-2H-quinoline-1-carboxylate
SMILESO=C(OC1CCNC1)N1CCCc2ccccc21
InChIInChI=1S/C14H18N2O2/c17-14(18-12-7-8-15-10-12)16-9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,12,15H,3,5,7-10H2
InChIKeyMMRYYMDGJVPJBR-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83199167
1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone
CID 62690706
pyrrolidin-3-yl piperidine-1-carboxylate
CID 79337599
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
ethyl 3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxylate
CID 10376695
2-(azetidin-3-ylmethylsulfanyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 66287794
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide
CID 119312008
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
2-(dimethylamino)ethyl 3,4-dihydro-2H-quinoline-1-carboxylate
CID 165352292

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl 3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of pyrrolidin-3-yl 3,4-dihydro-2H-quinoline-1-carboxylate (CID 142775986) is pyrrolidin-3-yl 3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for pyrrolidin-3-yl 3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for pyrrolidin-3-yl 3,4-dihydro-2H-quinoline-1-carboxylate is O=C(OC1CCNC1)N1CCCc2ccccc21.
What is the InChIKey of pyrrolidin-3-yl 3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is MMRYYMDGJVPJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(18-12-7-8-15-10-12)16-9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,12,15H,3,5,7-10H2.
What are the key properties of pyrrolidin-3-yl 3,4-dihydro-2H-quinoline-1-carboxylate?
pyrrolidin-3-yl 3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl 3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 142775986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).