(4Z,5Z,7E)-4-butan-2-ylidene-7-(8H-imidazo[4,5-c][2,6]naphthyridin-7-yl)-6-methylnona-5,7-dien-3-ol

C23H28N4O — CID 171555068

IUPAC(4Z,5Z,7E)-4-butan-2-ylidene-7-(8H-imidazo[4,5-c][2,6]naphthyridin-7-yl)-6-methylnona-5,7-dien-3-ol
SMILESC/C=C(C(\C)=C/C(=C(\C)CC)C(O)CC)/c1cc2cnc3ncnc3c2c[nH]1
InChIInChI=1S/C23H28N4O/c1-6-14(4)18(21(28)8-3)9-15(5)17(7-2)20-10-16-11-25-23-22(26-13-27-23)19(16)12-24-20/h7,9-13,21,24,28H,6,8H2,1-5H3/b15-9-,17-7+,18-14-
InChIKeyCBCUFHNCMGIUBJ-UXZREGEMSA-N
MW376.50 g/mol
LogP5.35
Rot. Bonds6

About (4Z,5Z,7E)-4-butan-2-ylidene-7-(8H-imidazo[4,5-c][2,6]naphthyridin-7-yl)-6-methylnona-5,7-dien-3-ol

(4Z,5Z,7E)-4-butan-2-ylidene-7-(8H-imidazo[4,5-c][2,6]naphthyridin-7-yl)-6-methylnona-5,7-dien-3-ol (PubChem CID 171555068) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is (4Z,5Z,7E)-4-butan-2-ylidene-7-(8H-imidazo[4,5-c][2,6]naphthyridin-7-yl)-6-methylnona-5,7-dien-3-ol.

Molecular Properties

Compound Name(4Z,5Z,7E)-4-butan-2-ylidene-7-(8H-imidazo[4,5-c][2,6]naphthyridin-7-yl)-6-methylnona-5,7-dien-3-ol
PubChem CID171555068
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name(4Z,5Z,7E)-4-butan-2-ylidene-7-(8H-imidazo[4,5-c][2,6]naphthyridin-7-yl)-6-methylnona-5,7-dien-3-ol
SMILESC/C=C(C(\C)=C/C(=C(\C)CC)C(O)CC)/c1cc2cnc3ncnc3c2c[nH]1
InChIInChI=1S/C23H28N4O/c1-6-14(4)18(21(28)8-3)9-15(5)17(7-2)20-10-16-11-25-23-22(26-13-27-23)19(16)12-24-20/h7,9-13,21,24,28H,6,8H2,1-5H3/b15-9-,17-7+,18-14-
InChIKeyCBCUFHNCMGIUBJ-UXZREGEMSA-N
XLogP5.35
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4Z,5Z,7E)-4-butan-2-ylidene-7-(8H-imidazo[4,5-c][2,6]naphthyridin-7-yl)-6-methylnona-5,7-dien-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4Z,5Z,7E)-4-butan-2-ylidene-7-(8H-imidazo[4,5-c][2,6]naphthyridin-7-yl)-6-methylnona-5,7-dien-3-ol?
The IUPAC name of (4Z,5Z,7E)-4-butan-2-ylidene-7-(8H-imidazo[4,5-c][2,6]naphthyridin-7-yl)-6-methylnona-5,7-dien-3-ol (CID 171555068) is (4Z,5Z,7E)-4-butan-2-ylidene-7-(8H-imidazo[4,5-c][2,6]naphthyridin-7-yl)-6-methylnona-5,7-dien-3-ol.
What is the SMILES notation for (4Z,5Z,7E)-4-butan-2-ylidene-7-(8H-imidazo[4,5-c][2,6]naphthyridin-7-yl)-6-methylnona-5,7-dien-3-ol?
The canonical SMILES for (4Z,5Z,7E)-4-butan-2-ylidene-7-(8H-imidazo[4,5-c][2,6]naphthyridin-7-yl)-6-methylnona-5,7-dien-3-ol is C/C=C(C(\C)=C/C(=C(\C)CC)C(O)CC)/c1cc2cnc3ncnc3c2c[nH]1.
What is the InChIKey of (4Z,5Z,7E)-4-butan-2-ylidene-7-(8H-imidazo[4,5-c][2,6]naphthyridin-7-yl)-6-methylnona-5,7-dien-3-ol?
The InChIKey is CBCUFHNCMGIUBJ-UXZREGEMSA-N. The full InChI is InChI=1S/C23H28N4O/c1-6-14(4)18(21(28)8-3)9-15(5)17(7-2)20-10-16-11-25-23-22(26-13-27-23)19(16)12-24-20/h7,9-13,21,24,28H,6,8H2,1-5H3/b15-9-,17-7+,18-14-.
What are the key properties of (4Z,5Z,7E)-4-butan-2-ylidene-7-(8H-imidazo[4,5-c][2,6]naphthyridin-7-yl)-6-methylnona-5,7-dien-3-ol?
(4Z,5Z,7E)-4-butan-2-ylidene-7-(8H-imidazo[4,5-c][2,6]naphthyridin-7-yl)-6-methylnona-5,7-dien-3-ol has a molecular weight of 376.50 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5Z,7E)-4-butan-2-ylidene-7-(8H-imidazo[4,5-c][2,6]naphthyridin-7-yl)-6-methylnona-5,7-dien-3-ol is sourced from PubChem (CID 171555068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).