N-[3-(diethylamino)propyl]-4-methylbenzo[f]isoquinoline-2-carboxamide

C22H27N3O — CID 15431591

IUPACN-[3-(diethylamino)propyl]-4-methylbenzo[f]isoquinoline-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cc2c(ccc3ccccc32)c(C)n1
InChIInChI=1S/C22H27N3O/c1-4-25(5-2)14-8-13-23-22(26)21-15-20-18(16(3)24-21)12-11-17-9-6-7-10-19(17)20/h6-7,9-12,15H,4-5,8,13-14H2,1-3H3,(H,23,26)
InChIKeyFEZYNQMFJGBDDO-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.16
Rot. Bonds7

About N-[3-(diethylamino)propyl]-4-methylbenzo[f]isoquinoline-2-carboxamide

N-[3-(diethylamino)propyl]-4-methylbenzo[f]isoquinoline-2-carboxamide (PubChem CID 15431591) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-methylbenzo[f]isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-methylbenzo[f]isoquinoline-2-carboxamide
PubChem CID15431591
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[3-(diethylamino)propyl]-4-methylbenzo[f]isoquinoline-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cc2c(ccc3ccccc32)c(C)n1
InChIInChI=1S/C22H27N3O/c1-4-25(5-2)14-8-13-23-22(26)21-15-20-18(16(3)24-21)12-11-17-9-6-7-10-19(17)20/h6-7,9-12,15H,4-5,8,13-14H2,1-3H3,(H,23,26)
InChIKeyFEZYNQMFJGBDDO-UHFFFAOYSA-N
XLogP4.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide
CID 101112912
N-tert-butyl-4-methylbenzo[f]isoquinoline-2-carboxamide
CID 101005918
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
4-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]benzo[f]isoquinoline-2-carboxamide
CID 102022720
N-[5-(diethylamino)pentyl]naphthalene-1-carboxamide
CID 110440172
6-amino-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 62238759
N-[2-(diethylamino)ethyl]-5-methylisoquinoline-3-carboxamide;ethane
CID 143617083
N-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide
CID 46334607
N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796560
N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484320
N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366778
N-[3-(diethylamino)propyl]-8-sulfanylquinoline-7-carboxamide
CID 159612824

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-4-methylbenzo[f]isoquinoline-2-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-4-methylbenzo[f]isoquinoline-2-carboxamide (CID 15431591) is N-[3-(diethylamino)propyl]-4-methylbenzo[f]isoquinoline-2-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-methylbenzo[f]isoquinoline-2-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-methylbenzo[f]isoquinoline-2-carboxamide is CCN(CC)CCCNC(=O)c1cc2c(ccc3ccccc32)c(C)n1.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-methylbenzo[f]isoquinoline-2-carboxamide?
The InChIKey is FEZYNQMFJGBDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-4-25(5-2)14-8-13-23-22(26)21-15-20-18(16(3)24-21)12-11-17-9-6-7-10-19(17)20/h6-7,9-12,15H,4-5,8,13-14H2,1-3H3,(H,23,26).
What are the key properties of N-[3-(diethylamino)propyl]-4-methylbenzo[f]isoquinoline-2-carboxamide?
N-[3-(diethylamino)propyl]-4-methylbenzo[f]isoquinoline-2-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-4-methylbenzo[f]isoquinoline-2-carboxamide is sourced from PubChem (CID 15431591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).