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

C24H28N6O2 — CID 122679410

IUPACN-ethyl-10-methoxy-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCCNC(=O)c1cc2c(N3CCCN(C)CC3)ccnc2n2c1nc1ccc(OC)cc12
InChIInChI=1S/C24H28N6O2/c1-4-25-24(31)18-15-17-20(29-11-5-10-28(2)12-13-29)8-9-26-22(17)30-21-14-16(32-3)6-7-19(21)27-23(18)30/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,25,31)
InChIKeyLKNXOGKXJWNCRO-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.94
Rot. Bonds4

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

N-ethyl-10-methoxy-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 122679410) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-ethyl-10-methoxy-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-10-methoxy-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID122679410
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC NameN-ethyl-10-methoxy-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCCNC(=O)c1cc2c(N3CCCN(C)CC3)ccnc2n2c1nc1ccc(OC)cc12
InChIInChI=1S/C24H28N6O2/c1-4-25-24(31)18-15-17-20(29-11-5-10-28(2)12-13-29)8-9-26-22(17)30-21-14-16(32-3)6-7-19(21)27-23(18)30/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,25,31)
InChIKeyLKNXOGKXJWNCRO-UHFFFAOYSA-N
XLogP2.94
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-10-methoxy-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of N-ethyl-10-methoxy-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (CID 122679410) is N-ethyl-10-methoxy-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for N-ethyl-10-methoxy-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for N-ethyl-10-methoxy-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is CCNC(=O)c1cc2c(N3CCCN(C)CC3)ccnc2n2c1nc1ccc(OC)cc12.
What is the InChIKey of N-ethyl-10-methoxy-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is LKNXOGKXJWNCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-4-25-24(31)18-15-17-20(29-11-5-10-28(2)12-13-29)8-9-26-22(17)30-21-14-16(32-3)6-7-19(21)27-23(18)30/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,25,31).
What are the key properties of N-ethyl-10-methoxy-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
N-ethyl-10-methoxy-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-10-methoxy-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 122679410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).