(1-methoxycyclopropyl)-[7-methyl-5-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C19H26N2O2 — CID 170011658

IUPAC(1-methoxycyclopropyl)-[7-methyl-5-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCOC1(C(=O)N2CCc3c(cc(C)cc3[C@@H]3CCCN3)C2)CC1
InChIInChI=1S/C19H26N2O2/c1-13-10-14-12-21(18(22)19(23-2)6-7-19)9-5-15(14)16(11-13)17-4-3-8-20-17/h10-11,17,20H,3-9,12H2,1-2H3/t17-/m0/s1
InChIKeyWPIWSHLFFYIYGV-KRWDZBQOSA-N
MW314.43 g/mol
LogP2.48
Rot. Bonds3

About (1-methoxycyclopropyl)-[7-methyl-5-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone

(1-methoxycyclopropyl)-[7-methyl-5-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 170011658) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (1-methoxycyclopropyl)-[7-methyl-5-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(1-methoxycyclopropyl)-[7-methyl-5-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID170011658
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(1-methoxycyclopropyl)-[7-methyl-5-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCOC1(C(=O)N2CCc3c(cc(C)cc3[C@@H]3CCCN3)C2)CC1
InChIInChI=1S/C19H26N2O2/c1-13-10-14-12-21(18(22)19(23-2)6-7-19)9-5-15(14)16(11-13)17-4-3-8-20-17/h10-11,17,20H,3-9,12H2,1-2H3/t17-/m0/s1
InChIKeyWPIWSHLFFYIYGV-KRWDZBQOSA-N
XLogP2.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethyl-4-pyridinyl)-[7-methyl-5-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 170011427
[(3S)-3-methoxypyrrolidin-1-yl]-[6-methyl-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 170011679
N-ethyl-6-methyl-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 170011286
(3,3-dimethylmorpholin-4-yl)-[6-methyl-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 170011739
(1-hydroxycyclopropyl)-[6-methylsulfanyl-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 170011776
1-[7-tert-butyl-5-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(oxan-4-yl)ethanone
CID 171606531
(2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine
CID 66518877
[6-tert-butyl-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone
CID 171606414
1-[8-[(2S)-4-[2-(2-cyclopropyloxyacetyl)-6-methyl-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-4-yl]pyrrolidin-2-yl]-6-sulfanyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methoxyethanone
CID 170011290
[6-tert-butyl-4-[(2S)-pyrrolidin-2-yl]-1,3-dihydroisoindol-2-yl]-pyrimidin-5-ylmethanone
CID 171606770
[6-chloro-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-ylmethanone
CID 175819895
[6-tert-butyl-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone
CID 171606675

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclopropyl)-[7-methyl-5-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (1-methoxycyclopropyl)-[7-methyl-5-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 170011658) is (1-methoxycyclopropyl)-[7-methyl-5-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (1-methoxycyclopropyl)-[7-methyl-5-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (1-methoxycyclopropyl)-[7-methyl-5-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone is COC1(C(=O)N2CCc3c(cc(C)cc3[C@@H]3CCCN3)C2)CC1.
What is the InChIKey of (1-methoxycyclopropyl)-[7-methyl-5-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is WPIWSHLFFYIYGV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13-10-14-12-21(18(22)19(23-2)6-7-19)9-5-15(14)16(11-13)17-4-3-8-20-17/h10-11,17,20H,3-9,12H2,1-2H3/t17-/m0/s1.
What are the key properties of (1-methoxycyclopropyl)-[7-methyl-5-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(1-methoxycyclopropyl)-[7-methyl-5-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 314.43 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclopropyl)-[7-methyl-5-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 170011658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).