benzyl N-[(2-isoquinolin-1-ylcyclopropyl)methyl]carbamate

C21H20N2O2 — CID 90220932

IUPACbenzyl N-[(2-isoquinolin-1-ylcyclopropyl)methyl]carbamate
SMILESO=C(NCC1CC1c1nccc2ccccc12)OCc1ccccc1
InChIInChI=1S/C21H20N2O2/c24-21(25-14-15-6-2-1-3-7-15)23-13-17-12-19(17)20-18-9-5-4-8-16(18)10-11-22-20/h1-11,17,19H,12-14H2,(H,23,24)
InChIKeyHPYHOJVSQVKTPM-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.26
Rot. Bonds5

About benzyl N-[(2-isoquinolin-1-ylcyclopropyl)methyl]carbamate

benzyl N-[(2-isoquinolin-1-ylcyclopropyl)methyl]carbamate (PubChem CID 90220932) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is benzyl N-[(2-isoquinolin-1-ylcyclopropyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2-isoquinolin-1-ylcyclopropyl)methyl]carbamate
PubChem CID90220932
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Namebenzyl N-[(2-isoquinolin-1-ylcyclopropyl)methyl]carbamate
SMILESO=C(NCC1CC1c1nccc2ccccc12)OCc1ccccc1
InChIInChI=1S/C21H20N2O2/c24-21(25-14-15-6-2-1-3-7-15)23-13-17-12-19(17)20-18-9-5-4-8-16(18)10-11-22-20/h1-11,17,19H,12-14H2,(H,23,24)
InChIKeyHPYHOJVSQVKTPM-UHFFFAOYSA-N
XLogP4.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2-pyrimidin-5-ylcyclopropyl)methyl]carbamate
CID 118512746
benzyl N-[[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]methyl]carbamate
CID 90226069
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[[(3S,4S)-4-fluoropyrrolidin-3-yl]methyl]carbamate
CID 131116805
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate
CID 124634239
benzyl N-[[(3R)-4-nitrosopyrrolidin-3-yl]methyl]carbamate
CID 91332106
3-isoquinolin-1-yl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 166000296
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate
CID 71102274
benzyl N-[[(3S,4R)-4-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]carbamate
CID 164860831

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2-isoquinolin-1-ylcyclopropyl)methyl]carbamate?
The IUPAC name of benzyl N-[(2-isoquinolin-1-ylcyclopropyl)methyl]carbamate (CID 90220932) is benzyl N-[(2-isoquinolin-1-ylcyclopropyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(2-isoquinolin-1-ylcyclopropyl)methyl]carbamate?
The canonical SMILES for benzyl N-[(2-isoquinolin-1-ylcyclopropyl)methyl]carbamate is O=C(NCC1CC1c1nccc2ccccc12)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2-isoquinolin-1-ylcyclopropyl)methyl]carbamate?
The InChIKey is HPYHOJVSQVKTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-21(25-14-15-6-2-1-3-7-15)23-13-17-12-19(17)20-18-9-5-4-8-16(18)10-11-22-20/h1-11,17,19H,12-14H2,(H,23,24).
What are the key properties of benzyl N-[(2-isoquinolin-1-ylcyclopropyl)methyl]carbamate?
benzyl N-[(2-isoquinolin-1-ylcyclopropyl)methyl]carbamate has a molecular weight of 332.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2-isoquinolin-1-ylcyclopropyl)methyl]carbamate is sourced from PubChem (CID 90220932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).