(5Z)-9-fluoro-2,2,4-trimethyl-5-(pyridin-2-ylmethylidene)-1H-chromeno[3,4-f]quinoline

C25H21FN2O — CID 11047249

IUPAC(5Z)-9-fluoro-2,2,4-trimethyl-5-(pyridin-2-ylmethylidene)-1H-chromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccn1)Oc1ccc(F)cc1-3
InChIInChI=1S/C25H21FN2O/c1-15-14-25(2,3)28-20-9-8-18-19-12-16(26)7-10-21(19)29-22(24(18)23(15)20)13-17-6-4-5-11-27-17/h4-14,28H,1-3H3/b22-13-
InChIKeyOOKFNRNSFDKPIG-XKZIYDEJSA-N
MW384.45 g/mol
LogP6.39
Rot. Bonds1

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

(5Z)-9-fluoro-2,2,4-trimethyl-5-(pyridin-2-ylmethylidene)-1H-chromeno[3,4-f]quinoline (PubChem CID 11047249) has the molecular formula C25H21FN2O and a molecular weight of 384.45 g/mol. Its IUPAC name is (5Z)-9-fluoro-2,2,4-trimethyl-5-(pyridin-2-ylmethylidene)-1H-chromeno[3,4-f]quinoline.

Molecular Properties

Compound Name(5Z)-9-fluoro-2,2,4-trimethyl-5-(pyridin-2-ylmethylidene)-1H-chromeno[3,4-f]quinoline
PubChem CID11047249
Molecular FormulaC25H21FN2O
Molecular Weight384.45 g/mol
Exact Mass384.16
IUPAC Name(5Z)-9-fluoro-2,2,4-trimethyl-5-(pyridin-2-ylmethylidene)-1H-chromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccn1)Oc1ccc(F)cc1-3
InChIInChI=1S/C25H21FN2O/c1-15-14-25(2,3)28-20-9-8-18-19-12-16(26)7-10-21(19)29-22(24(18)23(15)20)13-17-6-4-5-11-27-17/h4-14,28H,1-3H3/b22-13-
InChIKeyOOKFNRNSFDKPIG-XKZIYDEJSA-N
XLogP6.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.45
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z)-9-fluoro-2,2,4-trimethyl-5-(pyridin-2-ylmethylidene)-1H-chromeno[3,4-f]quinoline?
The IUPAC name of (5Z)-9-fluoro-2,2,4-trimethyl-5-(pyridin-2-ylmethylidene)-1H-chromeno[3,4-f]quinoline (CID 11047249) is (5Z)-9-fluoro-2,2,4-trimethyl-5-(pyridin-2-ylmethylidene)-1H-chromeno[3,4-f]quinoline.
What is the SMILES notation for (5Z)-9-fluoro-2,2,4-trimethyl-5-(pyridin-2-ylmethylidene)-1H-chromeno[3,4-f]quinoline?
The canonical SMILES for (5Z)-9-fluoro-2,2,4-trimethyl-5-(pyridin-2-ylmethylidene)-1H-chromeno[3,4-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccn1)Oc1ccc(F)cc1-3.
What is the InChIKey of (5Z)-9-fluoro-2,2,4-trimethyl-5-(pyridin-2-ylmethylidene)-1H-chromeno[3,4-f]quinoline?
The InChIKey is OOKFNRNSFDKPIG-XKZIYDEJSA-N. The full InChI is InChI=1S/C25H21FN2O/c1-15-14-25(2,3)28-20-9-8-18-19-12-16(26)7-10-21(19)29-22(24(18)23(15)20)13-17-6-4-5-11-27-17/h4-14,28H,1-3H3/b22-13-.
What are the key properties of (5Z)-9-fluoro-2,2,4-trimethyl-5-(pyridin-2-ylmethylidene)-1H-chromeno[3,4-f]quinoline?
(5Z)-9-fluoro-2,2,4-trimethyl-5-(pyridin-2-ylmethylidene)-1H-chromeno[3,4-f]quinoline has a molecular weight of 384.45 g/mol, XLogP of 6.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-9-fluoro-2,2,4-trimethyl-5-(pyridin-2-ylmethylidene)-1H-chromeno[3,4-f]quinoline is sourced from PubChem (CID 11047249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).