4,6-dimethyl-9-(morpholin-4-ylmethyl)-2,7,8,9-tetrahydro-1H-benzo[f]quinoline-3,10-dione;hydrochloride

C20H27ClN2O3 — CID 70449135

IUPAC4,6-dimethyl-9-(morpholin-4-ylmethyl)-2,7,8,9-tetrahydro-1H-benzo[f]quinoline-3,10-dione;hydrochloride
SMILESCc1cc2c(c3c1CCC(CN1CCOCC1)C3=O)CCC(=O)N2C.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-13-11-17-16(5-6-18(23)21(17)2)19-15(13)4-3-14(20(19)24)12-22-7-9-25-10-8-22;/h11,14H,3-10,12H2,1-2H3;1H
InChIKeyGPOBULSIRPGGCZ-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.40
Rot. Bonds2

About 4,6-dimethyl-9-(morpholin-4-ylmethyl)-2,7,8,9-tetrahydro-1H-benzo[f]quinoline-3,10-dione;hydrochloride

4,6-dimethyl-9-(morpholin-4-ylmethyl)-2,7,8,9-tetrahydro-1H-benzo[f]quinoline-3,10-dione;hydrochloride (PubChem CID 70449135) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 4,6-dimethyl-9-(morpholin-4-ylmethyl)-2,7,8,9-tetrahydro-1H-benzo[f]quinoline-3,10-dione;hydrochloride.

Molecular Properties

Compound Name4,6-dimethyl-9-(morpholin-4-ylmethyl)-2,7,8,9-tetrahydro-1H-benzo[f]quinoline-3,10-dione;hydrochloride
PubChem CID70449135
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name4,6-dimethyl-9-(morpholin-4-ylmethyl)-2,7,8,9-tetrahydro-1H-benzo[f]quinoline-3,10-dione;hydrochloride
SMILESCc1cc2c(c3c1CCC(CN1CCOCC1)C3=O)CCC(=O)N2C.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-13-11-17-16(5-6-18(23)21(17)2)19-15(13)4-3-14(20(19)24)12-22-7-9-25-10-8-22;/h11,14H,3-10,12H2,1-2H3;1H
InChIKeyGPOBULSIRPGGCZ-UHFFFAOYSA-N
XLogP2.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethyl-9-(morpholin-4-ylmethyl)-2,7,8,9-tetrahydro-1H-benzo[f]quinoline-3,10-dione;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-9-(morpholin-4-ylmethyl)-2,7,8,9-tetrahydro-1H-benzo[f]quinoline-3,10-dione;hydrochloride?
The IUPAC name of 4,6-dimethyl-9-(morpholin-4-ylmethyl)-2,7,8,9-tetrahydro-1H-benzo[f]quinoline-3,10-dione;hydrochloride (CID 70449135) is 4,6-dimethyl-9-(morpholin-4-ylmethyl)-2,7,8,9-tetrahydro-1H-benzo[f]quinoline-3,10-dione;hydrochloride.
What is the SMILES notation for 4,6-dimethyl-9-(morpholin-4-ylmethyl)-2,7,8,9-tetrahydro-1H-benzo[f]quinoline-3,10-dione;hydrochloride?
The canonical SMILES for 4,6-dimethyl-9-(morpholin-4-ylmethyl)-2,7,8,9-tetrahydro-1H-benzo[f]quinoline-3,10-dione;hydrochloride is Cc1cc2c(c3c1CCC(CN1CCOCC1)C3=O)CCC(=O)N2C.Cl.
What is the InChIKey of 4,6-dimethyl-9-(morpholin-4-ylmethyl)-2,7,8,9-tetrahydro-1H-benzo[f]quinoline-3,10-dione;hydrochloride?
The InChIKey is GPOBULSIRPGGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.ClH/c1-13-11-17-16(5-6-18(23)21(17)2)19-15(13)4-3-14(20(19)24)12-22-7-9-25-10-8-22;/h11,14H,3-10,12H2,1-2H3;1H.
What are the key properties of 4,6-dimethyl-9-(morpholin-4-ylmethyl)-2,7,8,9-tetrahydro-1H-benzo[f]quinoline-3,10-dione;hydrochloride?
4,6-dimethyl-9-(morpholin-4-ylmethyl)-2,7,8,9-tetrahydro-1H-benzo[f]quinoline-3,10-dione;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-9-(morpholin-4-ylmethyl)-2,7,8,9-tetrahydro-1H-benzo[f]quinoline-3,10-dione;hydrochloride is sourced from PubChem (CID 70449135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).