2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide

C22H24Cl2N4O — CID 139782357

IUPAC2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide
SMILESCCCNCCNc1c(C)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12
InChIInChI=1S/C22H24Cl2N4O/c1-3-10-25-11-12-26-20-14(2)13-27-21-15(20)6-4-9-18(21)28-22(29)19-16(23)7-5-8-17(19)24/h4-9,13,25H,3,10-12H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyQUAWTTVJQZCDNC-UHFFFAOYSA-N
MW431.37 g/mol
LogP5.51
Rot. Bonds8

About 2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide

2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide (PubChem CID 139782357) has the molecular formula C22H24Cl2N4O and a molecular weight of 431.37 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide
PubChem CID139782357
Molecular FormulaC22H24Cl2N4O
Molecular Weight431.37 g/mol
Exact Mass430.13
IUPAC Name2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide
SMILESCCCNCCNc1c(C)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12
InChIInChI=1S/C22H24Cl2N4O/c1-3-10-25-11-12-26-20-14(2)13-27-21-15(20)6-4-9-18(21)28-22(29)19-16(23)7-5-8-17(19)24/h4-9,13,25H,3,10-12H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyQUAWTTVJQZCDNC-UHFFFAOYSA-N
XLogP5.51
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.37
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592719
N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
CID 19592898
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide
CID 19592443
2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide
CID 139782456
2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide
CID 19592923
2,6-dichloro-N-[3-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinolin-8-yl]benzamide
CID 139782493
2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide
CID 139782384
methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate
CID 139782616
2,6-dichloro-N-[4-(3-ethyl-2-sulfanylideneimidazolidin-1-yl)-3-methylquinolin-8-yl]benzamide
CID 139782386
N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592896
2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide
CID 139782497

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide (CID 139782357) is 2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide is CCCNCCNc1c(C)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12.
What is the InChIKey of 2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide?
The InChIKey is QUAWTTVJQZCDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O/c1-3-10-25-11-12-26-20-14(2)13-27-21-15(20)6-4-9-18(21)28-22(29)19-16(23)7-5-8-17(19)24/h4-9,13,25H,3,10-12H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide?
2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide has a molecular weight of 431.37 g/mol, XLogP of 5.51, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide is sourced from PubChem (CID 139782357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).