8-chloro-N-(2-pyridin-3-yloxan-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C20H22ClN3O2 — CID 128688876

IUPAC8-chloro-N-(2-pyridin-3-yloxan-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NC1CCOC(c2cccnc2)C1)N1CCc2cccc(Cl)c2C1
InChIInChI=1S/C20H22ClN3O2/c21-18-5-1-3-14-6-9-24(13-17(14)18)20(25)23-16-7-10-26-19(11-16)15-4-2-8-22-12-15/h1-5,8,12,16,19H,6-7,9-11,13H2,(H,23,25)
InChIKeyDNEQARPYPQEKCR-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.72
Rot. Bonds2

About 8-chloro-N-(2-pyridin-3-yloxan-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

8-chloro-N-(2-pyridin-3-yloxan-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 128688876) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 8-chloro-N-(2-pyridin-3-yloxan-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(2-pyridin-3-yloxan-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID128688876
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name8-chloro-N-(2-pyridin-3-yloxan-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NC1CCOC(c2cccnc2)C1)N1CCc2cccc(Cl)c2C1
InChIInChI=1S/C20H22ClN3O2/c21-18-5-1-3-14-6-9-24(13-17(14)18)20(25)23-16-7-10-26-19(11-16)15-4-2-8-22-12-15/h1-5,8,12,16,19H,6-7,9-11,13H2,(H,23,25)
InChIKeyDNEQARPYPQEKCR-UHFFFAOYSA-N
XLogP3.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-chloro-N-(2-pyridin-3-yloxan-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ver-156084
CID 44243144
(R)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)methoxy]azetidin-1-yl}piperidin-1-ylmethanone
CID 44250208
[3-[(4-Chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
CID 44482558
[3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 57391264
[3-[(3-Chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
CID 57396959
[3-[(4-Chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(2-methylpiperidin-1-yl)methanone
CID 57400380
[3-[(2-Chloro-3-pyridinyl)-phenylmethoxy]azetidin-1-yl]-piperidin-1-ylmethanone
CID 57402179
[3-[(4-Chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-morpholin-4-ylmethanone
CID 57400379
N-tert-butyl-3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidine-1-carboxamide
CID 11452554
2-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)morpholine-4-carboxamide
CID 53604891
[3-[(6-Chloro-3-pyridinyl)-(2-methylphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
CID 57393457
[3-[(2-Chloro-3-pyridinyl)-(2-methylphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
CID 57396960

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-pyridin-3-yloxan-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 8-chloro-N-(2-pyridin-3-yloxan-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 128688876) is 8-chloro-N-(2-pyridin-3-yloxan-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 8-chloro-N-(2-pyridin-3-yloxan-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 8-chloro-N-(2-pyridin-3-yloxan-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(NC1CCOC(c2cccnc2)C1)N1CCc2cccc(Cl)c2C1.
What is the InChIKey of 8-chloro-N-(2-pyridin-3-yloxan-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is DNEQARPYPQEKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-18-5-1-3-14-6-9-24(13-17(14)18)20(25)23-16-7-10-26-19(11-16)15-4-2-8-22-12-15/h1-5,8,12,16,19H,6-7,9-11,13H2,(H,23,25).
What are the key properties of 8-chloro-N-(2-pyridin-3-yloxan-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
8-chloro-N-(2-pyridin-3-yloxan-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-pyridin-3-yloxan-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 128688876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).