N-[(3-aminoisoquinolin-6-yl)methyl]-1-ethylbenzo[g]indole-3-carboxamide

C25H22N4O — CID 172623070

IUPACN-[(3-aminoisoquinolin-6-yl)methyl]-1-ethylbenzo[g]indole-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc3cnc(N)cc3c2)c2ccc3ccccc3c21
InChIInChI=1S/C25H22N4O/c1-2-29-15-22(21-10-9-17-5-3-4-6-20(17)24(21)29)25(30)28-13-16-7-8-18-14-27-23(26)12-19(18)11-16/h3-12,14-15H,2,13H2,1H3,(H2,26,27)(H,28,30)
InChIKeyQHBAPTKAKWEKPF-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.87
Rot. Bonds4

About N-[(3-aminoisoquinolin-6-yl)methyl]-1-ethylbenzo[g]indole-3-carboxamide

N-[(3-aminoisoquinolin-6-yl)methyl]-1-ethylbenzo[g]indole-3-carboxamide (PubChem CID 172623070) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[(3-aminoisoquinolin-6-yl)methyl]-1-ethylbenzo[g]indole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-aminoisoquinolin-6-yl)methyl]-1-ethylbenzo[g]indole-3-carboxamide
PubChem CID172623070
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC NameN-[(3-aminoisoquinolin-6-yl)methyl]-1-ethylbenzo[g]indole-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc3cnc(N)cc3c2)c2ccc3ccccc3c21
InChIInChI=1S/C25H22N4O/c1-2-29-15-22(21-10-9-17-5-3-4-6-20(17)24(21)29)25(30)28-13-16-7-8-18-14-27-23(26)12-19(18)11-16/h3-12,14-15H,2,13H2,1H3,(H2,26,27)(H,28,30)
InChIKeyQHBAPTKAKWEKPF-UHFFFAOYSA-N
XLogP4.87
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-aminoisoquinolin-6-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-2-carboxamide
CID 172622963
N-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide
CID 172623172
1-methyl-N-(naphthalen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020382
1-ethyl-N-[(4-methylsulfanylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162947
2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 114923313
N-[(2-aminoquinazolin-6-yl)methyl]-1-ethylindole-5-carboxamide
CID 172623119
N-[(2-aminoquinazolin-7-yl)methyl]benzamide
CID 172623023
N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30131932
5-cyclopropyl-N-(naphthalen-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 112816283
2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114923423
2-methyl-N-(quinolin-6-ylmethyl)benzamide
CID 110472091
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminoisoquinolin-6-yl)methyl]-1-ethylbenzo[g]indole-3-carboxamide?
The IUPAC name of N-[(3-aminoisoquinolin-6-yl)methyl]-1-ethylbenzo[g]indole-3-carboxamide (CID 172623070) is N-[(3-aminoisoquinolin-6-yl)methyl]-1-ethylbenzo[g]indole-3-carboxamide.
What is the SMILES notation for N-[(3-aminoisoquinolin-6-yl)methyl]-1-ethylbenzo[g]indole-3-carboxamide?
The canonical SMILES for N-[(3-aminoisoquinolin-6-yl)methyl]-1-ethylbenzo[g]indole-3-carboxamide is CCn1cc(C(=O)NCc2ccc3cnc(N)cc3c2)c2ccc3ccccc3c21.
What is the InChIKey of N-[(3-aminoisoquinolin-6-yl)methyl]-1-ethylbenzo[g]indole-3-carboxamide?
The InChIKey is QHBAPTKAKWEKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c1-2-29-15-22(21-10-9-17-5-3-4-6-20(17)24(21)29)25(30)28-13-16-7-8-18-14-27-23(26)12-19(18)11-16/h3-12,14-15H,2,13H2,1H3,(H2,26,27)(H,28,30).
What are the key properties of N-[(3-aminoisoquinolin-6-yl)methyl]-1-ethylbenzo[g]indole-3-carboxamide?
N-[(3-aminoisoquinolin-6-yl)methyl]-1-ethylbenzo[g]indole-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminoisoquinolin-6-yl)methyl]-1-ethylbenzo[g]indole-3-carboxamide is sourced from PubChem (CID 172623070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).