N,2-bis[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide

C22H29N5O2 — CID 11761087

IUPACN,2-bis[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide
SMILESCc1cccc2cc3c(=O)n(CCN(C)C)cc(C(=O)NCCN(C)C)c3nc12
InChIInChI=1S/C22H29N5O2/c1-15-7-6-8-16-13-17-20(24-19(15)16)18(21(28)23-9-10-25(2)3)14-27(22(17)29)12-11-26(4)5/h6-8,13-14H,9-12H2,1-5H3,(H,23,28)
InChIKeyZROKQJLWXIWMRR-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.71
Rot. Bonds7

About N,2-bis[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide

N,2-bis[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide (PubChem CID 11761087) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N,2-bis[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN,2-bis[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide
PubChem CID11761087
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN,2-bis[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide
SMILESCc1cccc2cc3c(=O)n(CCN(C)C)cc(C(=O)NCCN(C)C)c3nc12
InChIInChI=1S/C22H29N5O2/c1-15-7-6-8-16-13-17-20(24-19(15)16)18(21(28)23-9-10-25(2)3)14-27(22(17)29)12-11-26(4)5/h6-8,13-14H,9-12H2,1-5H3,(H,23,28)
InChIKeyZROKQJLWXIWMRR-UHFFFAOYSA-N
XLogP1.71
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-bis[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide?
The IUPAC name of N,2-bis[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide (CID 11761087) is N,2-bis[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide.
What is the SMILES notation for N,2-bis[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide?
The canonical SMILES for N,2-bis[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide is Cc1cccc2cc3c(=O)n(CCN(C)C)cc(C(=O)NCCN(C)C)c3nc12.
What is the InChIKey of N,2-bis[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide?
The InChIKey is ZROKQJLWXIWMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-15-7-6-8-16-13-17-20(24-19(15)16)18(21(28)23-9-10-25(2)3)14-27(22(17)29)12-11-26(4)5/h6-8,13-14H,9-12H2,1-5H3,(H,23,28).
What are the key properties of N,2-bis[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide?
N,2-bis[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide is sourced from PubChem (CID 11761087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).