1-[ethyl(pyrrolidin-2-ylmethyl)amino]isoquinolin-7-ol

C16H21N3O — CID 106619450

IUPAC1-[ethyl(pyrrolidin-2-ylmethyl)amino]isoquinolin-7-ol
SMILESCCN(CC1CCCN1)c1nccc2ccc(O)cc12
InChIInChI=1S/C16H21N3O/c1-2-19(11-13-4-3-8-17-13)16-15-10-14(20)6-5-12(15)7-9-18-16/h5-7,9-10,13,17,20H,2-4,8,11H2,1H3
InChIKeyYGGLATVDPKDYBN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.52
Rot. Bonds4

About 1-[ethyl(pyrrolidin-2-ylmethyl)amino]isoquinolin-7-ol

1-[ethyl(pyrrolidin-2-ylmethyl)amino]isoquinolin-7-ol (PubChem CID 106619450) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[ethyl(pyrrolidin-2-ylmethyl)amino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[ethyl(pyrrolidin-2-ylmethyl)amino]isoquinolin-7-ol
PubChem CID106619450
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[ethyl(pyrrolidin-2-ylmethyl)amino]isoquinolin-7-ol
SMILESCCN(CC1CCCN1)c1nccc2ccc(O)cc12
InChIInChI=1S/C16H21N3O/c1-2-19(11-13-4-3-8-17-13)16-15-10-14(20)6-5-12(15)7-9-18-16/h5-7,9-10,13,17,20H,2-4,8,11H2,1H3
InChIKeyYGGLATVDPKDYBN-UHFFFAOYSA-N
XLogP2.52
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine
CID 106619613
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-4-methylpyridine-3-carbonitrile
CID 106619252
N-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106619295
N-ethyl-2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106619257
N-ethyl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106619421
1-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)imidazo[4,5-c]pyridin-4-amine
CID 106619625
N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417
3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile
CID 106641792
2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106619653
5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796659
4-[2-[ethyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]-5-pyrazin-2-ylphenoxy]phenol
CID 52933379
N-ethyl-N-(piperidin-2-ylmethyl)quinazolin-2-amine
CID 106641730

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(pyrrolidin-2-ylmethyl)amino]isoquinolin-7-ol?
The IUPAC name of 1-[ethyl(pyrrolidin-2-ylmethyl)amino]isoquinolin-7-ol (CID 106619450) is 1-[ethyl(pyrrolidin-2-ylmethyl)amino]isoquinolin-7-ol.
What is the SMILES notation for 1-[ethyl(pyrrolidin-2-ylmethyl)amino]isoquinolin-7-ol?
The canonical SMILES for 1-[ethyl(pyrrolidin-2-ylmethyl)amino]isoquinolin-7-ol is CCN(CC1CCCN1)c1nccc2ccc(O)cc12.
What is the InChIKey of 1-[ethyl(pyrrolidin-2-ylmethyl)amino]isoquinolin-7-ol?
The InChIKey is YGGLATVDPKDYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-19(11-13-4-3-8-17-13)16-15-10-14(20)6-5-12(15)7-9-18-16/h5-7,9-10,13,17,20H,2-4,8,11H2,1H3.
What are the key properties of 1-[ethyl(pyrrolidin-2-ylmethyl)amino]isoquinolin-7-ol?
1-[ethyl(pyrrolidin-2-ylmethyl)amino]isoquinolin-7-ol has a molecular weight of 271.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(pyrrolidin-2-ylmethyl)amino]isoquinolin-7-ol is sourced from PubChem (CID 106619450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).