10-methoxy-N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

C23H26N6O2 — CID 122525176

IUPAC10-methoxy-N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCNC(=O)c1cc2c(N3CCCN(C)CC3)ccnc2n2c1nc1ccc(OC)cc12
InChIInChI=1S/C23H26N6O2/c1-24-23(30)17-14-16-19(28-10-4-9-27(2)11-12-28)7-8-25-21(16)29-20-13-15(31-3)5-6-18(20)26-22(17)29/h5-8,13-14H,4,9-12H2,1-3H3,(H,24,30)
InChIKeyRUAUCFSMSTUKFF-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.55
Rot. Bonds3

About 10-methoxy-N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

10-methoxy-N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 122525176) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 10-methoxy-N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name10-methoxy-N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID122525176
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name10-methoxy-N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCNC(=O)c1cc2c(N3CCCN(C)CC3)ccnc2n2c1nc1ccc(OC)cc12
InChIInChI=1S/C23H26N6O2/c1-24-23(30)17-14-16-19(28-10-4-9-27(2)11-12-28)7-8-25-21(16)29-20-13-15(31-3)5-6-18(20)26-22(17)29/h5-8,13-14H,4,9-12H2,1-3H3,(H,24,30)
InChIKeyRUAUCFSMSTUKFF-UHFFFAOYSA-N
XLogP2.55
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of 10-methoxy-N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (CID 122525176) is 10-methoxy-N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for 10-methoxy-N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for 10-methoxy-N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is CNC(=O)c1cc2c(N3CCCN(C)CC3)ccnc2n2c1nc1ccc(OC)cc12.
What is the InChIKey of 10-methoxy-N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is RUAUCFSMSTUKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-24-23(30)17-14-16-19(28-10-4-9-27(2)11-12-28)7-8-25-21(16)29-20-13-15(31-3)5-6-18(20)26-22(17)29/h5-8,13-14H,4,9-12H2,1-3H3,(H,24,30).
What are the key properties of 10-methoxy-N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
10-methoxy-N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 122525176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).