(6Z,8E)-7-methyl-5-methylidene-8-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)deca-6,8-dien-4-ol

C22H25N3O — CID 171556108

IUPAC(6Z,8E)-7-methyl-5-methylidene-8-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)deca-6,8-dien-4-ol
SMILESC=C(/C=C(C)\C(=C/C)c1cc2cnc3nccc3c2c[nH]1)C(O)CCC
InChIInChI=1S/C22H25N3O/c1-5-7-21(26)15(4)10-14(3)17(6-2)20-11-16-12-25-22-18(8-9-23-22)19(16)13-24-20/h6,8-13,21,24,26H,4-5,7H2,1-3H3/b14-10-,17-6+
InChIKeyAPSNTKIDRIMKNM-YAMMGXLWSA-N
MW347.46 g/mol
LogP5.18
Rot. Bonds6

About (6Z,8E)-7-methyl-5-methylidene-8-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)deca-6,8-dien-4-ol

(6Z,8E)-7-methyl-5-methylidene-8-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)deca-6,8-dien-4-ol (PubChem CID 171556108) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (6Z,8E)-7-methyl-5-methylidene-8-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)deca-6,8-dien-4-ol.

Molecular Properties

Compound Name(6Z,8E)-7-methyl-5-methylidene-8-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)deca-6,8-dien-4-ol
PubChem CID171556108
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(6Z,8E)-7-methyl-5-methylidene-8-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)deca-6,8-dien-4-ol
SMILESC=C(/C=C(C)\C(=C/C)c1cc2cnc3nccc3c2c[nH]1)C(O)CCC
InChIInChI=1S/C22H25N3O/c1-5-7-21(26)15(4)10-14(3)17(6-2)20-11-16-12-25-22-18(8-9-23-22)19(16)13-24-20/h6,8-13,21,24,26H,4-5,7H2,1-3H3/b14-10-,17-6+
InChIKeyAPSNTKIDRIMKNM-YAMMGXLWSA-N
XLogP5.18
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z,8E)-7-methyl-5-methylidene-8-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)deca-6,8-dien-4-ol?
The IUPAC name of (6Z,8E)-7-methyl-5-methylidene-8-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)deca-6,8-dien-4-ol (CID 171556108) is (6Z,8E)-7-methyl-5-methylidene-8-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)deca-6,8-dien-4-ol.
What is the SMILES notation for (6Z,8E)-7-methyl-5-methylidene-8-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)deca-6,8-dien-4-ol?
The canonical SMILES for (6Z,8E)-7-methyl-5-methylidene-8-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)deca-6,8-dien-4-ol is C=C(/C=C(C)\C(=C/C)c1cc2cnc3nccc3c2c[nH]1)C(O)CCC.
What is the InChIKey of (6Z,8E)-7-methyl-5-methylidene-8-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)deca-6,8-dien-4-ol?
The InChIKey is APSNTKIDRIMKNM-YAMMGXLWSA-N. The full InChI is InChI=1S/C22H25N3O/c1-5-7-21(26)15(4)10-14(3)17(6-2)20-11-16-12-25-22-18(8-9-23-22)19(16)13-24-20/h6,8-13,21,24,26H,4-5,7H2,1-3H3/b14-10-,17-6+.
What are the key properties of (6Z,8E)-7-methyl-5-methylidene-8-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)deca-6,8-dien-4-ol?
(6Z,8E)-7-methyl-5-methylidene-8-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)deca-6,8-dien-4-ol has a molecular weight of 347.46 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8E)-7-methyl-5-methylidene-8-(2H-pyrrolo[2,3-c][2,6]naphthyridin-3-yl)deca-6,8-dien-4-ol is sourced from PubChem (CID 171556108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).