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

C21H20N2O — CID 2729702

IUPAC4-(5,6-dihydrobenzo[c]acridin-7-yl)morpholine
SMILESc1ccc2c(c1)CCc1c-2nc2ccccc2c1N1CCOCC1
InChIInChI=1S/C21H20N2O/c1-2-6-16-15(5-1)9-10-18-20(16)22-19-8-4-3-7-17(19)21(18)23-11-13-24-14-12-23/h1-8H,9-14H2
InChIKeyNDTTVQJRZOMEFE-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.84
Rot. Bonds1

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

4-(5,6-dihydrobenzo[c]acridin-7-yl)morpholine (PubChem CID 2729702) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-(5,6-dihydrobenzo[c]acridin-7-yl)morpholine.

Molecular Properties

Compound Name4-(5,6-dihydrobenzo[c]acridin-7-yl)morpholine
PubChem CID2729702
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name4-(5,6-dihydrobenzo[c]acridin-7-yl)morpholine
SMILESc1ccc2c(c1)CCc1c-2nc2ccccc2c1N1CCOCC1
InChIInChI=1S/C21H20N2O/c1-2-6-16-15(5-1)9-10-18-20(16)22-19-8-4-3-7-17(19)21(18)23-11-13-24-14-12-23/h1-8H,9-14H2
InChIKeyNDTTVQJRZOMEFE-UHFFFAOYSA-N
XLogP3.84
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydrobenzo[c]acridin-7-yl)morpholine?
The IUPAC name of 4-(5,6-dihydrobenzo[c]acridin-7-yl)morpholine (CID 2729702) is 4-(5,6-dihydrobenzo[c]acridin-7-yl)morpholine.
What is the SMILES notation for 4-(5,6-dihydrobenzo[c]acridin-7-yl)morpholine?
The canonical SMILES for 4-(5,6-dihydrobenzo[c]acridin-7-yl)morpholine is c1ccc2c(c1)CCc1c-2nc2ccccc2c1N1CCOCC1.
What is the InChIKey of 4-(5,6-dihydrobenzo[c]acridin-7-yl)morpholine?
The InChIKey is NDTTVQJRZOMEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-2-6-16-15(5-1)9-10-18-20(16)22-19-8-4-3-7-17(19)21(18)23-11-13-24-14-12-23/h1-8H,9-14H2.
What are the key properties of 4-(5,6-dihydrobenzo[c]acridin-7-yl)morpholine?
4-(5,6-dihydrobenzo[c]acridin-7-yl)morpholine has a molecular weight of 316.40 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydrobenzo[c]acridin-7-yl)morpholine is sourced from PubChem (CID 2729702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).