N-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-carboxamide

C21H24N2O — CID 91099741

IUPACN-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-carboxamide
SMILESCCCN1CCc2ccc(C(=O)NC)c3c2C1Cc1ccccc1-3
InChIInChI=1S/C21H24N2O/c1-3-11-23-12-10-14-8-9-17(21(24)22-2)20-16-7-5-4-6-15(16)13-18(23)19(14)20/h4-9,18H,3,10-13H2,1-2H3,(H,22,24)
InChIKeyQNLYPMSLKMFEMF-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.58
Rot. Bonds3

About N-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-carboxamide

N-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-carboxamide (PubChem CID 91099741) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-carboxamide.

Molecular Properties

Compound NameN-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-carboxamide
PubChem CID91099741
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-carboxamide
SMILESCCCN1CCc2ccc(C(=O)NC)c3c2C1Cc1ccccc1-3
InChIInChI=1S/C21H24N2O/c1-3-11-23-12-10-14-8-9-17(21(24)22-2)20-16-7-5-4-6-15(16)13-18(23)19(14)20/h4-9,18H,3,10-13H2,1-2H3,(H,22,24)
InChIKeyQNLYPMSLKMFEMF-UHFFFAOYSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-carboxamide?
The IUPAC name of N-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-carboxamide (CID 91099741) is N-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-carboxamide.
What is the SMILES notation for N-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-carboxamide?
The canonical SMILES for N-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-carboxamide is CCCN1CCc2ccc(C(=O)NC)c3c2C1Cc1ccccc1-3.
What is the InChIKey of N-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-carboxamide?
The InChIKey is QNLYPMSLKMFEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-3-11-23-12-10-14-8-9-17(21(24)22-2)20-16-7-5-4-6-15(16)13-18(23)19(14)20/h4-9,18H,3,10-13H2,1-2H3,(H,22,24).
What are the key properties of N-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-carboxamide?
N-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-carboxamide is sourced from PubChem (CID 91099741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).