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

C20H20Cl2N4O2 — CID 19592719

IUPACN-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
SMILESCOCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1NCCN
InChIInChI=1S/C20H20Cl2N4O2/c1-28-11-12-10-25-19-13(18(12)24-9-8-23)4-2-7-16(19)26-20(27)17-14(21)5-3-6-15(17)22/h2-7,10H,8-9,11,23H2,1H3,(H,24,25)(H,26,27)
InChIKeyFORGEDPPUKJLKR-UHFFFAOYSA-N
MW419.31 g/mol
LogP4.31
Rot. Bonds7

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

N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide (PubChem CID 19592719) has the molecular formula C20H20Cl2N4O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
PubChem CID19592719
Molecular FormulaC20H20Cl2N4O2
Molecular Weight419.31 g/mol
Exact Mass418.10
IUPAC NameN-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
SMILESCOCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1NCCN
InChIInChI=1S/C20H20Cl2N4O2/c1-28-11-12-10-25-19-13(18(12)24-9-8-23)4-2-7-16(19)26-20(27)17-14(21)5-3-6-15(17)22/h2-7,10H,8-9,11,23H2,1H3,(H,24,25)(H,26,27)
InChIKeyFORGEDPPUKJLKR-UHFFFAOYSA-N
XLogP4.31
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide
CID 19592781
2,6-dichloro-N-[4-chloro-6-fluoro-3-(methoxymethyl)quinolin-8-yl]benzamide
CID 139782449
2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide
CID 139782357
N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
CID 19592898
N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592896
N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide
CID 19592480
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide
CID 19592923
ethyl 3-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]propanoate
CID 19592289
N-[4-[(E)-3-amino-3-oxoprop-1-enyl]-3-ethylquinolin-8-yl]-2,6-dichlorobenzamide
CID 19593036
N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592597
methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate
CID 139782616

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide?
The IUPAC name of N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide (CID 19592719) is N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide is COCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1NCCN.
What is the InChIKey of N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide?
The InChIKey is FORGEDPPUKJLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O2/c1-28-11-12-10-25-19-13(18(12)24-9-8-23)4-2-7-16(19)26-20(27)17-14(21)5-3-6-15(17)22/h2-7,10H,8-9,11,23H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide?
N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide has a molecular weight of 419.31 g/mol, XLogP of 4.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide is sourced from PubChem (CID 19592719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).