1-(1,3-dihydroisoindol-2-yl)isoquinoline-7-carboxamide

C18H15N3O — CID 175936759

IUPAC1-(1,3-dihydroisoindol-2-yl)isoquinoline-7-carboxamide
SMILESNC(=O)c1ccc2ccnc(N3Cc4ccccc4C3)c2c1
InChIInChI=1S/C18H15N3O/c19-17(22)13-6-5-12-7-8-20-18(16(12)9-13)21-10-14-3-1-2-4-15(14)11-21/h1-9H,10-11H2,(H2,19,22)
InChIKeyYHLCQPCHJQNHRG-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.85
Rot. Bonds2

About 1-(1,3-dihydroisoindol-2-yl)isoquinoline-7-carboxamide

1-(1,3-dihydroisoindol-2-yl)isoquinoline-7-carboxamide (PubChem CID 175936759) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)isoquinoline-7-carboxamide.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)isoquinoline-7-carboxamide
PubChem CID175936759
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name1-(1,3-dihydroisoindol-2-yl)isoquinoline-7-carboxamide
SMILESNC(=O)c1ccc2ccnc(N3Cc4ccccc4C3)c2c1
InChIInChI=1S/C18H15N3O/c19-17(22)13-6-5-12-7-8-20-18(16(12)9-13)21-10-14-3-1-2-4-15(14)11-21/h1-9H,10-11H2,(H2,19,22)
InChIKeyYHLCQPCHJQNHRG-UHFFFAOYSA-N
XLogP2.85
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)isoquinoline-7-carboxamide?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)isoquinoline-7-carboxamide (CID 175936759) is 1-(1,3-dihydroisoindol-2-yl)isoquinoline-7-carboxamide.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)isoquinoline-7-carboxamide?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)isoquinoline-7-carboxamide is NC(=O)c1ccc2ccnc(N3Cc4ccccc4C3)c2c1.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)isoquinoline-7-carboxamide?
The InChIKey is YHLCQPCHJQNHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c19-17(22)13-6-5-12-7-8-20-18(16(12)9-13)21-10-14-3-1-2-4-15(14)11-21/h1-9H,10-11H2,(H2,19,22).
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)isoquinoline-7-carboxamide?
1-(1,3-dihydroisoindol-2-yl)isoquinoline-7-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)isoquinoline-7-carboxamide is sourced from PubChem (CID 175936759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).