2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline

C22H25NO — CID 54083505

IUPAC2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCCCC1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C22H25NO/c1-5-8-19-21-16(15-9-6-7-10-18(15)24-19)11-12-17-20(21)14(2)13-22(3,4)23-17/h6-7,9-13,19,23H,5,8H2,1-4H3
InChIKeyMOUIXPBXWXQVKE-UHFFFAOYSA-N
MW319.45 g/mol
LogP6.19
Rot. Bonds2

About 2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline

2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 54083505) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID54083505
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCCCC1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C22H25NO/c1-5-8-19-21-16(15-9-6-7-10-18(15)24-19)11-12-17-20(21)14(2)13-22(3,4)23-17/h6-7,9-13,19,23H,5,8H2,1-4H3
InChIKeyMOUIXPBXWXQVKE-UHFFFAOYSA-N
XLogP6.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 54083505) is 2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline is CCCC1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3.
What is the InChIKey of 2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is MOUIXPBXWXQVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-5-8-19-21-16(15-9-6-7-10-18(15)24-19)11-12-17-20(21)14(2)13-22(3,4)23-17/h6-7,9-13,19,23H,5,8H2,1-4H3.
What are the key properties of 2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline?
2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 319.45 g/mol, XLogP of 6.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 54083505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).