4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

C25H30N6O2 — CID 122511305

IUPAC4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCOCCN1CCN(c2ccnc3c2cc(C(=O)NC(C)C)c2nc4ccccc4n23)CC1
InChIInChI=1S/C25H30N6O2/c1-17(2)27-25(32)19-16-18-21(30-12-10-29(11-13-30)14-15-33-3)8-9-26-23(18)31-22-7-5-4-6-20(22)28-24(19)31/h4-9,16-17H,10-15H2,1-3H3,(H,27,32)
InChIKeySNQSHQPKBRVFKT-UHFFFAOYSA-N
MW446.56 g/mol
LogP2.94
Rot. Bonds6

About 4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 122511305) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID122511305
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCOCCN1CCN(c2ccnc3c2cc(C(=O)NC(C)C)c2nc4ccccc4n23)CC1
InChIInChI=1S/C25H30N6O2/c1-17(2)27-25(32)19-16-18-21(30-12-10-29(11-13-30)14-15-33-3)8-9-26-23(18)31-22-7-5-4-6-20(22)28-24(19)31/h4-9,16-17H,10-15H2,1-3H3,(H,27,32)
InChIKeySNQSHQPKBRVFKT-UHFFFAOYSA-N
XLogP2.94
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of 4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (CID 122511305) is 4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for 4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for 4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is COCCN1CCN(c2ccnc3c2cc(C(=O)NC(C)C)c2nc4ccccc4n23)CC1.
What is the InChIKey of 4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is SNQSHQPKBRVFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-17(2)27-25(32)19-16-18-21(30-12-10-29(11-13-30)14-15-33-3)8-9-26-23(18)31-22-7-5-4-6-20(22)28-24(19)31/h4-9,16-17H,10-15H2,1-3H3,(H,27,32).
What are the key properties of 4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 122511305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).