2-[2-[(4,6-dichloro-1H-indol-2-yl)methylamino]propylamino]-1H-quinolin-4-one

C21H20Cl2N4O — CID 10136567

IUPAC2-[2-[(4,6-dichloro-1H-indol-2-yl)methylamino]propylamino]-1H-quinolin-4-one
SMILESCC(CNc1cc(=O)c2ccccc2[nH]1)NCc1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C21H20Cl2N4O/c1-12(10-25-21-9-20(28)15-4-2-3-5-18(15)27-21)24-11-14-8-16-17(23)6-13(22)7-19(16)26-14/h2-9,12,24,26H,10-11H2,1H3,(H2,25,27,28)
InChIKeyKMQNLGIREVGMMM-UHFFFAOYSA-N
MW415.32 g/mol
LogP4.91
Rot. Bonds6

About 2-[2-[(4,6-dichloro-1H-indol-2-yl)methylamino]propylamino]-1H-quinolin-4-one

2-[2-[(4,6-dichloro-1H-indol-2-yl)methylamino]propylamino]-1H-quinolin-4-one (PubChem CID 10136567) has the molecular formula C21H20Cl2N4O and a molecular weight of 415.32 g/mol. Its IUPAC name is 2-[2-[(4,6-dichloro-1H-indol-2-yl)methylamino]propylamino]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[2-[(4,6-dichloro-1H-indol-2-yl)methylamino]propylamino]-1H-quinolin-4-one
PubChem CID10136567
Molecular FormulaC21H20Cl2N4O
Molecular Weight415.32 g/mol
Exact Mass414.10
IUPAC Name2-[2-[(4,6-dichloro-1H-indol-2-yl)methylamino]propylamino]-1H-quinolin-4-one
SMILESCC(CNc1cc(=O)c2ccccc2[nH]1)NCc1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C21H20Cl2N4O/c1-12(10-25-21-9-20(28)15-4-2-3-5-18(15)27-21)24-11-14-8-16-17(23)6-13(22)7-19(16)26-14/h2-9,12,24,26H,10-11H2,1H3,(H2,25,27,28)
InChIKeyKMQNLGIREVGMMM-UHFFFAOYSA-N
XLogP4.91
TPSA72.71 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(4,6-dichloro-1H-indol-2-yl)methylamino]propylamino]-1H-quinolin-4-one with MolForge

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Related Compounds

2-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one
CID 10293966
2-[[3-[(3,5-dichlorophenyl)methylamino]-2-methylpropyl]amino]-1H-quinolin-4-one
CID 10200384
2-[3-[(2,3,5-trichlorophenyl)methylamino]propylamino]-1H-quinolin-4-one;dihydrochloride
CID 18353654
2-[(tert-butylamino)methyl]-1H-quinolin-4-one
CID 59768370
2-[[(2S)-3-[(3,4-dichlorophenyl)methylamino]-2-methoxypropyl]amino]-1H-quinolin-4-one
CID 66615397
2-[2-[(3,4-dichlorophenyl)methylamino]ethylamino]-1H-quinolin-4-one
CID 18353767
2-(ethylaminomethyl)-1H-quinolin-4-one
CID 71077140
4,6-dichloro-2-ethyl-1H-indole
CID 20828571
2-[2-[[(3-iodophenyl)methylamino]methyl]pentylamino]-1H-quinolin-4-one
CID 10299181
2-[2-[(3-phenylphenyl)methylamino]ethylamino]-1H-quinolin-4-one
CID 44533502
N-(4-oxo-1H-quinolin-2-yl)formamide
CID 87078948
2-(5-methylhexyl)-1H-quinolin-4-one
CID 162656936

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,6-dichloro-1H-indol-2-yl)methylamino]propylamino]-1H-quinolin-4-one?
The IUPAC name of 2-[2-[(4,6-dichloro-1H-indol-2-yl)methylamino]propylamino]-1H-quinolin-4-one (CID 10136567) is 2-[2-[(4,6-dichloro-1H-indol-2-yl)methylamino]propylamino]-1H-quinolin-4-one.
What is the SMILES notation for 2-[2-[(4,6-dichloro-1H-indol-2-yl)methylamino]propylamino]-1H-quinolin-4-one?
The canonical SMILES for 2-[2-[(4,6-dichloro-1H-indol-2-yl)methylamino]propylamino]-1H-quinolin-4-one is CC(CNc1cc(=O)c2ccccc2[nH]1)NCc1cc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of 2-[2-[(4,6-dichloro-1H-indol-2-yl)methylamino]propylamino]-1H-quinolin-4-one?
The InChIKey is KMQNLGIREVGMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O/c1-12(10-25-21-9-20(28)15-4-2-3-5-18(15)27-21)24-11-14-8-16-17(23)6-13(22)7-19(16)26-14/h2-9,12,24,26H,10-11H2,1H3,(H2,25,27,28).
What are the key properties of 2-[2-[(4,6-dichloro-1H-indol-2-yl)methylamino]propylamino]-1H-quinolin-4-one?
2-[2-[(4,6-dichloro-1H-indol-2-yl)methylamino]propylamino]-1H-quinolin-4-one has a molecular weight of 415.32 g/mol, XLogP of 4.91, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,6-dichloro-1H-indol-2-yl)methylamino]propylamino]-1H-quinolin-4-one is sourced from PubChem (CID 10136567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).