2-[[3-[(3,5-dichlorophenyl)methylamino]-2-methylpropyl]amino]-1H-quinolin-4-one

C20H21Cl2N3O — CID 10200384

IUPAC2-[[3-[(3,5-dichlorophenyl)methylamino]-2-methylpropyl]amino]-1H-quinolin-4-one
SMILESCC(CNCc1cc(Cl)cc(Cl)c1)CNc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C20H21Cl2N3O/c1-13(10-23-12-14-6-15(21)8-16(22)7-14)11-24-20-9-19(26)17-4-2-3-5-18(17)25-20/h2-9,13,23H,10-12H2,1H3,(H2,24,25,26)
InChIKeyDTAWPKJGQQQNNX-UHFFFAOYSA-N
MW390.31 g/mol
LogP4.67
Rot. Bonds7

About 2-[[3-[(3,5-dichlorophenyl)methylamino]-2-methylpropyl]amino]-1H-quinolin-4-one

2-[[3-[(3,5-dichlorophenyl)methylamino]-2-methylpropyl]amino]-1H-quinolin-4-one (PubChem CID 10200384) has the molecular formula C20H21Cl2N3O and a molecular weight of 390.31 g/mol. Its IUPAC name is 2-[[3-[(3,5-dichlorophenyl)methylamino]-2-methylpropyl]amino]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[3-[(3,5-dichlorophenyl)methylamino]-2-methylpropyl]amino]-1H-quinolin-4-one
PubChem CID10200384
Molecular FormulaC20H21Cl2N3O
Molecular Weight390.31 g/mol
Exact Mass389.11
IUPAC Name2-[[3-[(3,5-dichlorophenyl)methylamino]-2-methylpropyl]amino]-1H-quinolin-4-one
SMILESCC(CNCc1cc(Cl)cc(Cl)c1)CNc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C20H21Cl2N3O/c1-13(10-23-12-14-6-15(21)8-16(22)7-14)11-24-20-9-19(26)17-4-2-3-5-18(17)25-20/h2-9,13,23H,10-12H2,1H3,(H2,24,25,26)
InChIKeyDTAWPKJGQQQNNX-UHFFFAOYSA-N
XLogP4.67
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3,5-dichlorophenyl)methylamino]-2-methylpropyl]amino]-1H-quinolin-4-one?
The IUPAC name of 2-[[3-[(3,5-dichlorophenyl)methylamino]-2-methylpropyl]amino]-1H-quinolin-4-one (CID 10200384) is 2-[[3-[(3,5-dichlorophenyl)methylamino]-2-methylpropyl]amino]-1H-quinolin-4-one.
What is the SMILES notation for 2-[[3-[(3,5-dichlorophenyl)methylamino]-2-methylpropyl]amino]-1H-quinolin-4-one?
The canonical SMILES for 2-[[3-[(3,5-dichlorophenyl)methylamino]-2-methylpropyl]amino]-1H-quinolin-4-one is CC(CNCc1cc(Cl)cc(Cl)c1)CNc1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-[[3-[(3,5-dichlorophenyl)methylamino]-2-methylpropyl]amino]-1H-quinolin-4-one?
The InChIKey is DTAWPKJGQQQNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O/c1-13(10-23-12-14-6-15(21)8-16(22)7-14)11-24-20-9-19(26)17-4-2-3-5-18(17)25-20/h2-9,13,23H,10-12H2,1H3,(H2,24,25,26).
What are the key properties of 2-[[3-[(3,5-dichlorophenyl)methylamino]-2-methylpropyl]amino]-1H-quinolin-4-one?
2-[[3-[(3,5-dichlorophenyl)methylamino]-2-methylpropyl]amino]-1H-quinolin-4-one has a molecular weight of 390.31 g/mol, XLogP of 4.67, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3,5-dichlorophenyl)methylamino]-2-methylpropyl]amino]-1H-quinolin-4-one is sourced from PubChem (CID 10200384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).