N,N-diethyl-5,6-dihydrobenzo[c]acridine-7-carboxamide

C22H22N2O — CID 838719

IUPACN,N-diethyl-5,6-dihydrobenzo[c]acridine-7-carboxamide
SMILESCCN(CC)C(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2
InChIInChI=1S/C22H22N2O/c1-3-24(4-2)22(25)20-17-11-7-8-12-19(17)23-21-16-10-6-5-9-15(16)13-14-18(20)21/h5-12H,3-4,13-14H2,1-2H3
InChIKeyWINJZXVPRAIRQT-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.48
Rot. Bonds3

About N,N-diethyl-5,6-dihydrobenzo[c]acridine-7-carboxamide

N,N-diethyl-5,6-dihydrobenzo[c]acridine-7-carboxamide (PubChem CID 838719) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N,N-diethyl-5,6-dihydrobenzo[c]acridine-7-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5,6-dihydrobenzo[c]acridine-7-carboxamide
PubChem CID838719
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN,N-diethyl-5,6-dihydrobenzo[c]acridine-7-carboxamide
SMILESCCN(CC)C(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2
InChIInChI=1S/C22H22N2O/c1-3-24(4-2)22(25)20-17-11-7-8-12-19(17)23-21-16-10-6-5-9-15(16)13-14-18(20)21/h5-12H,3-4,13-14H2,1-2H3
InChIKeyWINJZXVPRAIRQT-UHFFFAOYSA-N
XLogP4.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5,6-dihydrobenzo[c]acridine-7-carboxamide?
The IUPAC name of N,N-diethyl-5,6-dihydrobenzo[c]acridine-7-carboxamide (CID 838719) is N,N-diethyl-5,6-dihydrobenzo[c]acridine-7-carboxamide.
What is the SMILES notation for N,N-diethyl-5,6-dihydrobenzo[c]acridine-7-carboxamide?
The canonical SMILES for N,N-diethyl-5,6-dihydrobenzo[c]acridine-7-carboxamide is CCN(CC)C(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2.
What is the InChIKey of N,N-diethyl-5,6-dihydrobenzo[c]acridine-7-carboxamide?
The InChIKey is WINJZXVPRAIRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-3-24(4-2)22(25)20-17-11-7-8-12-19(17)23-21-16-10-6-5-9-15(16)13-14-18(20)21/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of N,N-diethyl-5,6-dihydrobenzo[c]acridine-7-carboxamide?
N,N-diethyl-5,6-dihydrobenzo[c]acridine-7-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5,6-dihydrobenzo[c]acridine-7-carboxamide is sourced from PubChem (CID 838719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).