6-(3-aminopropyl)-N-oxo-1,2-dihydrobenzo[h]isoquinoline-9-carboxamide

C17H17N3O2 — CID 87765170

IUPAC6-(3-aminopropyl)-N-oxo-1,2-dihydrobenzo[h]isoquinoline-9-carboxamide
SMILESNCCCc1cc2c(c3cc(C(=O)N=O)ccc13)CNC=C2
InChIInChI=1S/C17H17N3O2/c18-6-1-2-11-8-12-5-7-19-10-16(12)15-9-13(17(21)20-22)3-4-14(11)15/h3-5,7-9,19H,1-2,6,10,18H2
InChIKeyQRPVSIBFJUAHJS-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.71
Rot. Bonds4

About 6-(3-aminopropyl)-N-oxo-1,2-dihydrobenzo[h]isoquinoline-9-carboxamide

6-(3-aminopropyl)-N-oxo-1,2-dihydrobenzo[h]isoquinoline-9-carboxamide (PubChem CID 87765170) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-(3-aminopropyl)-N-oxo-1,2-dihydrobenzo[h]isoquinoline-9-carboxamide.

Molecular Properties

Compound Name6-(3-aminopropyl)-N-oxo-1,2-dihydrobenzo[h]isoquinoline-9-carboxamide
PubChem CID87765170
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name6-(3-aminopropyl)-N-oxo-1,2-dihydrobenzo[h]isoquinoline-9-carboxamide
SMILESNCCCc1cc2c(c3cc(C(=O)N=O)ccc13)CNC=C2
InChIInChI=1S/C17H17N3O2/c18-6-1-2-11-8-12-5-7-19-10-16(12)15-9-13(17(21)20-22)3-4-14(11)15/h3-5,7-9,19H,1-2,6,10,18H2
InChIKeyQRPVSIBFJUAHJS-UHFFFAOYSA-N
XLogP2.71
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-6-yl]propan-1-amine
CID 86635009
7-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)heptan-1-one
CID 116551530
6-(3-aminopropyl)-3-oxo-2H-benzo[h]isoquinoline-9-carbonitrile
CID 87765052
2-[3-(3-aminopropyl)-6-chloroindol-1-yl]acetic acid
CID 83945236
3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid
CID 83963355
4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84787142
N-[2-(3-aminopropyl)phenyl]-N-methylacetamide
CID 143582453

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-N-oxo-1,2-dihydrobenzo[h]isoquinoline-9-carboxamide?
The IUPAC name of 6-(3-aminopropyl)-N-oxo-1,2-dihydrobenzo[h]isoquinoline-9-carboxamide (CID 87765170) is 6-(3-aminopropyl)-N-oxo-1,2-dihydrobenzo[h]isoquinoline-9-carboxamide.
What is the SMILES notation for 6-(3-aminopropyl)-N-oxo-1,2-dihydrobenzo[h]isoquinoline-9-carboxamide?
The canonical SMILES for 6-(3-aminopropyl)-N-oxo-1,2-dihydrobenzo[h]isoquinoline-9-carboxamide is NCCCc1cc2c(c3cc(C(=O)N=O)ccc13)CNC=C2.
What is the InChIKey of 6-(3-aminopropyl)-N-oxo-1,2-dihydrobenzo[h]isoquinoline-9-carboxamide?
The InChIKey is QRPVSIBFJUAHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c18-6-1-2-11-8-12-5-7-19-10-16(12)15-9-13(17(21)20-22)3-4-14(11)15/h3-5,7-9,19H,1-2,6,10,18H2.
What are the key properties of 6-(3-aminopropyl)-N-oxo-1,2-dihydrobenzo[h]isoquinoline-9-carboxamide?
6-(3-aminopropyl)-N-oxo-1,2-dihydrobenzo[h]isoquinoline-9-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-N-oxo-1,2-dihydrobenzo[h]isoquinoline-9-carboxamide is sourced from PubChem (CID 87765170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).