N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide

C23H25N3O2 — CID 90242203

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide
SMILESO=C(Cc1cccc2cccnc12)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C23H25N3O2/c27-21(16-26-12-10-17-5-1-2-6-20(17)15-26)14-25-22(28)13-19-8-3-7-18-9-4-11-24-23(18)19/h1-9,11,21,27H,10,12-16H2,(H,25,28)
InChIKeyOUZSVAKQLPQURN-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.31
Rot. Bonds6

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide (PubChem CID 90242203) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide
PubChem CID90242203
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide
SMILESO=C(Cc1cccc2cccnc12)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C23H25N3O2/c27-21(16-26-12-10-17-5-1-2-6-20(17)15-26)14-25-22(28)13-19-8-3-7-18-9-4-11-24-23(18)19/h1-9,11,21,27H,10,12-16H2,(H,25,28)
InChIKeyOUZSVAKQLPQURN-UHFFFAOYSA-N
XLogP2.31
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide (CID 90242203) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide is O=C(Cc1cccc2cccnc12)NCC(O)CN1CCc2ccccc2C1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide?
The InChIKey is OUZSVAKQLPQURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-21(16-26-12-10-17-5-1-2-6-20(17)15-26)14-25-22(28)13-19-8-3-7-18-9-4-11-24-23(18)19/h1-9,11,21,27H,10,12-16H2,(H,25,28).
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide has a molecular weight of 375.47 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide is sourced from PubChem (CID 90242203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).