N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide

C20H18N2O2 — CID 99790409

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide
SMILESCN(C(=O)c1c[nH]c(=O)c2ccccc12)[C@H]1CCc2ccccc21
InChIInChI=1S/C20H18N2O2/c1-22(18-11-10-13-6-2-3-7-14(13)18)20(24)17-12-21-19(23)16-9-5-4-8-15(16)17/h2-9,12,18H,10-11H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyJQSYNLNCIMKSMF-SFHVURJKSA-N
MW318.38 g/mol
LogP3.29
Rot. Bonds2

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide (PubChem CID 99790409) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide
PubChem CID99790409
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide
SMILESCN(C(=O)c1c[nH]c(=O)c2ccccc12)[C@H]1CCc2ccccc21
InChIInChI=1S/C20H18N2O2/c1-22(18-11-10-13-6-2-3-7-14(13)18)20(24)17-12-21-19(23)16-9-5-4-8-15(16)17/h2-9,12,18H,10-11H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyJQSYNLNCIMKSMF-SFHVURJKSA-N
XLogP3.29
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide (CID 99790409) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide is CN(C(=O)c1c[nH]c(=O)c2ccccc12)[C@H]1CCc2ccccc21.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide?
The InChIKey is JQSYNLNCIMKSMF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-22(18-11-10-13-6-2-3-7-14(13)18)20(24)17-12-21-19(23)16-9-5-4-8-15(16)17/h2-9,12,18H,10-11H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide is sourced from PubChem (CID 99790409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).