4-(3-methoxy-5,6-dihydrobenzo[c]acridin-7-yl)morpholine

C22H22N2O2 — CID 2729703

IUPAC4-(3-methoxy-5,6-dihydrobenzo[c]acridin-7-yl)morpholine
SMILESCOc1ccc2c(c1)CCc1c-2nc2ccccc2c1N1CCOCC1
InChIInChI=1S/C22H22N2O2/c1-25-16-7-9-17-15(14-16)6-8-19-21(17)23-20-5-3-2-4-18(20)22(19)24-10-12-26-13-11-24/h2-5,7,9,14H,6,8,10-13H2,1H3
InChIKeyLKBYWBCEXWIRLK-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.85
Rot. Bonds2

About 4-(3-methoxy-5,6-dihydrobenzo[c]acridin-7-yl)morpholine

4-(3-methoxy-5,6-dihydrobenzo[c]acridin-7-yl)morpholine (PubChem CID 2729703) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-(3-methoxy-5,6-dihydrobenzo[c]acridin-7-yl)morpholine.

Molecular Properties

Compound Name4-(3-methoxy-5,6-dihydrobenzo[c]acridin-7-yl)morpholine
PubChem CID2729703
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name4-(3-methoxy-5,6-dihydrobenzo[c]acridin-7-yl)morpholine
SMILESCOc1ccc2c(c1)CCc1c-2nc2ccccc2c1N1CCOCC1
InChIInChI=1S/C22H22N2O2/c1-25-16-7-9-17-15(14-16)6-8-19-21(17)23-20-5-3-2-4-18(20)22(19)24-10-12-26-13-11-24/h2-5,7,9,14H,6,8,10-13H2,1H3
InChIKeyLKBYWBCEXWIRLK-UHFFFAOYSA-N
XLogP3.85
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-5,6-dihydrobenzo[c]acridin-7-yl)morpholine?
The IUPAC name of 4-(3-methoxy-5,6-dihydrobenzo[c]acridin-7-yl)morpholine (CID 2729703) is 4-(3-methoxy-5,6-dihydrobenzo[c]acridin-7-yl)morpholine.
What is the SMILES notation for 4-(3-methoxy-5,6-dihydrobenzo[c]acridin-7-yl)morpholine?
The canonical SMILES for 4-(3-methoxy-5,6-dihydrobenzo[c]acridin-7-yl)morpholine is COc1ccc2c(c1)CCc1c-2nc2ccccc2c1N1CCOCC1.
What is the InChIKey of 4-(3-methoxy-5,6-dihydrobenzo[c]acridin-7-yl)morpholine?
The InChIKey is LKBYWBCEXWIRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-25-16-7-9-17-15(14-16)6-8-19-21(17)23-20-5-3-2-4-18(20)22(19)24-10-12-26-13-11-24/h2-5,7,9,14H,6,8,10-13H2,1H3.
What are the key properties of 4-(3-methoxy-5,6-dihydrobenzo[c]acridin-7-yl)morpholine?
4-(3-methoxy-5,6-dihydrobenzo[c]acridin-7-yl)morpholine has a molecular weight of 346.43 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-5,6-dihydrobenzo[c]acridin-7-yl)morpholine is sourced from PubChem (CID 2729703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).