(5-cycloheptylbenzo[c][2,6]naphthyridin-8-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

C26H32N4O — CID 25253458

IUPAC(5-cycloheptylbenzo[c][2,6]naphthyridin-8-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2ccc3c(c2)nc(C2CCCCCC2)c2ccncc23)CC1
InChIInChI=1S/C26H32N4O/c1-29-13-6-14-30(16-15-29)26(31)20-9-10-21-23-18-27-12-11-22(23)25(28-24(21)17-20)19-7-4-2-3-5-8-19/h9-12,17-19H,2-8,13-16H2,1H3
InChIKeyNWZVMVHSADVPNE-UHFFFAOYSA-N
MW416.57 g/mol
LogP5.00
Rot. Bonds2

About (5-cycloheptylbenzo[c][2,6]naphthyridin-8-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

(5-cycloheptylbenzo[c][2,6]naphthyridin-8-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 25253458) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is (5-cycloheptylbenzo[c][2,6]naphthyridin-8-yl)-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(5-cycloheptylbenzo[c][2,6]naphthyridin-8-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID25253458
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name(5-cycloheptylbenzo[c][2,6]naphthyridin-8-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2ccc3c(c2)nc(C2CCCCCC2)c2ccncc23)CC1
InChIInChI=1S/C26H32N4O/c1-29-13-6-14-30(16-15-29)26(31)20-9-10-21-23-18-27-12-11-22(23)25(28-24(21)17-20)19-7-4-2-3-5-8-19/h9-12,17-19H,2-8,13-16H2,1H3
InChIKeyNWZVMVHSADVPNE-UHFFFAOYSA-N
XLogP5.00
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-cycloheptylbenzo[c][2,6]naphthyridin-8-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (5-cycloheptylbenzo[c][2,6]naphthyridin-8-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (CID 25253458) is (5-cycloheptylbenzo[c][2,6]naphthyridin-8-yl)-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (5-cycloheptylbenzo[c][2,6]naphthyridin-8-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (5-cycloheptylbenzo[c][2,6]naphthyridin-8-yl)-(4-methyl-1,4-diazepan-1-yl)methanone is CN1CCCN(C(=O)c2ccc3c(c2)nc(C2CCCCCC2)c2ccncc23)CC1.
What is the InChIKey of (5-cycloheptylbenzo[c][2,6]naphthyridin-8-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is NWZVMVHSADVPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-29-13-6-14-30(16-15-29)26(31)20-9-10-21-23-18-27-12-11-22(23)25(28-24(21)17-20)19-7-4-2-3-5-8-19/h9-12,17-19H,2-8,13-16H2,1H3.
What are the key properties of (5-cycloheptylbenzo[c][2,6]naphthyridin-8-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
(5-cycloheptylbenzo[c][2,6]naphthyridin-8-yl)-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 416.57 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cycloheptylbenzo[c][2,6]naphthyridin-8-yl)-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 25253458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).