6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine

C20H28ClN5O — CID 91938165

IUPAC6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine
SMILESCN1CCN(c2cc(NCCN3CCOCC3)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C20H28ClN5O/c1-24-6-8-26(9-7-24)20-15-19(17-14-16(21)2-3-18(17)23-20)22-4-5-25-10-12-27-13-11-25/h2-3,14-15H,4-13H2,1H3,(H,22,23)
InChIKeyVADDTMYXVBSMFL-UHFFFAOYSA-N
MW389.93 g/mol
LogP2.38
Rot. Bonds5

About 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine

6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine (PubChem CID 91938165) has the molecular formula C20H28ClN5O and a molecular weight of 389.93 g/mol. Its IUPAC name is 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine
PubChem CID91938165
Molecular FormulaC20H28ClN5O
Molecular Weight389.93 g/mol
Exact Mass389.20
IUPAC Name6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine
SMILESCN1CCN(c2cc(NCCN3CCOCC3)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C20H28ClN5O/c1-24-6-8-26(9-7-24)20-15-19(17-14-16(21)2-3-18(17)23-20)22-4-5-25-10-12-27-13-11-25/h2-3,14-15H,4-13H2,1H3,(H,22,23)
InChIKeyVADDTMYXVBSMFL-UHFFFAOYSA-N
XLogP2.38
TPSA43.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)quinolin-4-amine
CID 91938150
N-(6-chloro-2-morpholin-4-ylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 91938185
4-(6-chloro-4-methylquinolin-2-yl)morpholine
CID 1477208
6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 110433256
6-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 70854811
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 60679405
6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine
CID 134696041
6-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylquinoline
CID 91938161
6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-N-(4-morpholin-4-ylbutyl)quinolin-4-amine
CID 162645505
6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]-N-(4-morpholin-4-ylbutyl)quinolin-4-amine
CID 162656726
N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine
CID 127044051
6-chloro-N-[4-(4-methylpiperazin-1-yl)butyl]-2-[(E)-2-phenylethenyl]quinolin-4-amine
CID 162665698

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine?
The IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine (CID 91938165) is 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine.
What is the SMILES notation for 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine?
The canonical SMILES for 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine is CN1CCN(c2cc(NCCN3CCOCC3)c3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine?
The InChIKey is VADDTMYXVBSMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5O/c1-24-6-8-26(9-7-24)20-15-19(17-14-16(21)2-3-18(17)23-20)22-4-5-25-10-12-27-13-11-25/h2-3,14-15H,4-13H2,1H3,(H,22,23).
What are the key properties of 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine?
6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine has a molecular weight of 389.93 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine is sourced from PubChem (CID 91938165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).