(5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-2-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline

C26H23FN2O — CID 44353994

IUPAC(5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-2-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline
SMILESCC1=C(N=CC=C1)/C=C\2/C3=C(C=CC4=C3C(=CC(N4)(C)C)C)C5=C(O2)C=CC(=C5)F
InChIInChI=1S/C26H23FN2O/c1-15-6-5-11-28-21(15)13-23-25-18(19-12-17(27)7-10-22(19)30-23)8-9-20-24(25)16(2)14-26(3,4)29-20/h5-14,29H,1-4H3/b23-13-
InChIKeyMEFYNCWNNHNHMN-QRVIBDJDSA-N
MW398.50 g/mol
LogP5.50
Rot. Bonds1

About (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-2-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline

(5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-2-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline (PubChem CID 44353994) has the molecular formula C26H23FN2O and a molecular weight of 398.50 g/mol. Its IUPAC name is (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-2-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline.

Molecular Properties

Compound Name(5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-2-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline
PubChem CID44353994
Molecular FormulaC26H23FN2O
Molecular Weight398.50 g/mol
Exact Mass398.18
IUPAC Name(5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-2-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline
SMILESCC1=C(N=CC=C1)/C=C\2/C3=C(C=CC4=C3C(=CC(N4)(C)C)C)C5=C(O2)C=CC(=C5)F
InChIInChI=1S/C26H23FN2O/c1-15-6-5-11-28-21(15)13-23-25-18(19-12-17(27)7-10-22(19)30-23)8-9-20-24(25)16(2)14-26(3,4)29-20/h5-14,29H,1-4H3/b23-13-
InChIKeyMEFYNCWNNHNHMN-QRVIBDJDSA-N
XLogP5.50
TPSA34.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity716

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.50
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-2-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline?
The IUPAC name of (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-2-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline (CID 44353994) is (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-2-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline.
What is the SMILES notation for (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-2-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline?
The canonical SMILES for (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-2-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline is CC1=C(N=CC=C1)/C=C\2/C3=C(C=CC4=C3C(=CC(N4)(C)C)C)C5=C(O2)C=CC(=C5)F.
What is the InChIKey of (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-2-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline?
The InChIKey is MEFYNCWNNHNHMN-QRVIBDJDSA-N. The full InChI is InChI=1S/C26H23FN2O/c1-15-6-5-11-28-21(15)13-23-25-18(19-12-17(27)7-10-22(19)30-23)8-9-20-24(25)16(2)14-26(3,4)29-20/h5-14,29H,1-4H3/b23-13-.
What are the key properties of (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-2-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline?
(5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-2-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline has a molecular weight of 398.50 g/mol, XLogP of 5.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-2-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline is sourced from PubChem (CID 44353994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).