N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide

C19H18Cl2N4O — CID 19592896

IUPACN-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide
SMILESNCCCNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12
InChIInChI=1S/C19H18Cl2N4O/c20-13-5-2-6-14(21)17(13)19(26)25-16-7-1-4-12-15(23-10-3-9-22)8-11-24-18(12)16/h1-2,4-8,11H,3,9-10,22H2,(H,23,24)(H,25,26)
InChIKeyVJXHHOPBSUACSJ-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.55
Rot. Bonds6

About N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide

N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide (PubChem CID 19592896) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide
PubChem CID19592896
Molecular FormulaC19H18Cl2N4O
Molecular Weight389.29 g/mol
Exact Mass388.09
IUPAC NameN-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide
SMILESNCCCNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12
InChIInChI=1S/C19H18Cl2N4O/c20-13-5-2-6-14(21)17(13)19(26)25-16-7-1-4-12-15(23-10-3-9-22)8-11-24-18(12)16/h1-2,4-8,11H,3,9-10,22H2,(H,23,24)(H,25,26)
InChIKeyVJXHHOPBSUACSJ-UHFFFAOYSA-N
XLogP4.55
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.55
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

2,6-dichloro-N-[6-chloro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
CID 19592429
N-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592886
N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592719
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
2,6-dichloro-N-[4-[methoxy(methyl)amino]quinolin-8-yl]benzamide
CID 19592665
2,6-dichloro-N-[4-[2-methoxyethyl(methyl)amino]quinolin-8-yl]benzamide
CID 19592575
2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide
CID 19592675
N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide
CID 19592480
2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide
CID 139782357
2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide
CID 19592406
2,6-dichloro-N-(4-chloro-6-methylquinolin-8-yl)benzamide
CID 19592532

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide?
The IUPAC name of N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide (CID 19592896) is N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide is NCCCNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12.
What is the InChIKey of N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide?
The InChIKey is VJXHHOPBSUACSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c20-13-5-2-6-14(21)17(13)19(26)25-16-7-1-4-12-15(23-10-3-9-22)8-11-24-18(12)16/h1-2,4-8,11H,3,9-10,22H2,(H,23,24)(H,25,26).
What are the key properties of N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide?
N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide has a molecular weight of 389.29 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide is sourced from PubChem (CID 19592896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).