(6-methyl-2-phenylchromen-4-ylidene)-(2-morpholin-4-ylethyl)azanium

C22H25N2O2+ — CID 733512

IUPAC(6-methyl-2-phenylchromen-4-ylidene)-(2-morpholin-4-ylethyl)azanium
SMILESCc1ccc2oc(-c3ccccc3)c/c(=[NH+]\CCN3CCOCC3)c2c1
InChIInChI=1S/C22H24N2O2/c1-17-7-8-21-19(15-17)20(23-9-10-24-11-13-25-14-12-24)16-22(26-21)18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3/p+1/b23-20+
InChIKeyHCAQUVWJPZYAIW-BSYVCWPDSA-O
MW349.45 g/mol
LogP1.72
Rot. Bonds4

About (6-methyl-2-phenylchromen-4-ylidene)-(2-morpholin-4-ylethyl)azanium

(6-methyl-2-phenylchromen-4-ylidene)-(2-morpholin-4-ylethyl)azanium (PubChem CID 733512) has the molecular formula C22H25N2O2+ and a molecular weight of 349.45 g/mol. Its IUPAC name is (6-methyl-2-phenylchromen-4-ylidene)-(2-morpholin-4-ylethyl)azanium.

Molecular Properties

Compound Name(6-methyl-2-phenylchromen-4-ylidene)-(2-morpholin-4-ylethyl)azanium
PubChem CID733512
Molecular FormulaC22H25N2O2+
Molecular Weight349.45 g/mol
Exact Mass349.19
IUPAC Name(6-methyl-2-phenylchromen-4-ylidene)-(2-morpholin-4-ylethyl)azanium
SMILESCc1ccc2oc(-c3ccccc3)c/c(=[NH+]\CCN3CCOCC3)c2c1
InChIInChI=1S/C22H24N2O2/c1-17-7-8-21-19(15-17)20(23-9-10-24-11-13-25-14-12-24)16-22(26-21)18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3/p+1/b23-20+
InChIKeyHCAQUVWJPZYAIW-BSYVCWPDSA-O
XLogP1.72
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-phenylchromen-4-ylidene)-(2-morpholin-4-ylethyl)azanium?
The IUPAC name of (6-methyl-2-phenylchromen-4-ylidene)-(2-morpholin-4-ylethyl)azanium (CID 733512) is (6-methyl-2-phenylchromen-4-ylidene)-(2-morpholin-4-ylethyl)azanium.
What is the SMILES notation for (6-methyl-2-phenylchromen-4-ylidene)-(2-morpholin-4-ylethyl)azanium?
The canonical SMILES for (6-methyl-2-phenylchromen-4-ylidene)-(2-morpholin-4-ylethyl)azanium is Cc1ccc2oc(-c3ccccc3)c/c(=[NH+]\CCN3CCOCC3)c2c1.
What is the InChIKey of (6-methyl-2-phenylchromen-4-ylidene)-(2-morpholin-4-ylethyl)azanium?
The InChIKey is HCAQUVWJPZYAIW-BSYVCWPDSA-O. The full InChI is InChI=1S/C22H24N2O2/c1-17-7-8-21-19(15-17)20(23-9-10-24-11-13-25-14-12-24)16-22(26-21)18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3/p+1/b23-20+.
What are the key properties of (6-methyl-2-phenylchromen-4-ylidene)-(2-morpholin-4-ylethyl)azanium?
(6-methyl-2-phenylchromen-4-ylidene)-(2-morpholin-4-ylethyl)azanium has a molecular weight of 349.45 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-phenylchromen-4-ylidene)-(2-morpholin-4-ylethyl)azanium is sourced from PubChem (CID 733512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).