8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine

C16H19N3O — CID 62783867

IUPAC8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine
SMILESCCCNc1cc2c(nn1)-c1ccc(OC)cc1CC2
InChIInChI=1S/C16H19N3O/c1-3-8-17-15-10-12-5-4-11-9-13(20-2)6-7-14(11)16(12)19-18-15/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyFEBUILFJVOIKTO-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.07
Rot. Bonds4

About 8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine

8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine (PubChem CID 62783867) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine.

Molecular Properties

Compound Name8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine
PubChem CID62783867
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine
SMILESCCCNc1cc2c(nn1)-c1ccc(OC)cc1CC2
InChIInChI=1S/C16H19N3O/c1-3-8-17-15-10-12-5-4-11-9-13(20-2)6-7-14(11)16(12)19-18-15/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyFEBUILFJVOIKTO-UHFFFAOYSA-N
XLogP3.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-13-methoxy-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene
CID 59295630
5-(4-methoxyphenyl)-6-methyl-N-propylpyridazin-3-amine
CID 63270970
2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine
CID 80939033
5-methoxy-N-propylpyridin-2-amine
CID 106503925
1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine
CID 61336437
ethane;7-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole
CID 143217654
N-[(7-methoxy-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 63927825
8-methoxy-2-(methylamino)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 62196297
5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine
CID 63047445
2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 80936844
8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 18918768
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine?
The IUPAC name of 8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine (CID 62783867) is 8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine.
What is the SMILES notation for 8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine?
The canonical SMILES for 8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine is CCCNc1cc2c(nn1)-c1ccc(OC)cc1CC2.
What is the InChIKey of 8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine?
The InChIKey is FEBUILFJVOIKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-8-17-15-10-12-5-4-11-9-13(20-2)6-7-14(11)16(12)19-18-15/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of 8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine?
8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine has a molecular weight of 269.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine is sourced from PubChem (CID 62783867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).