7-chloro-N-[3-[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]propyl]quinolin-4-amine

C26H29ClN6 — CID 157192844

IUPAC7-chloro-N-[3-[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]propyl]quinolin-4-amine
SMILESCCN1CCN(c2nc(CCCNc3ccnc4cc(Cl)ccc34)c3ccccc3n2)CC1
InChIInChI=1S/C26H29ClN6/c1-2-32-14-16-33(17-15-32)26-30-23-7-4-3-6-20(23)24(31-26)8-5-12-28-22-11-13-29-25-18-19(27)9-10-21(22)25/h3-4,6-7,9-11,13,18H,2,5,8,12,14-17H2,1H3,(H,28,29)
InChIKeyJIQQGZWACSZJTQ-UHFFFAOYSA-N
MW461.01 g/mol
LogP5.02
Rot. Bonds7

About 7-chloro-N-[3-[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]propyl]quinolin-4-amine

7-chloro-N-[3-[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]propyl]quinolin-4-amine (PubChem CID 157192844) has the molecular formula C26H29ClN6 and a molecular weight of 461.01 g/mol. Its IUPAC name is 7-chloro-N-[3-[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]propyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[3-[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]propyl]quinolin-4-amine
PubChem CID157192844
Molecular FormulaC26H29ClN6
Molecular Weight461.01 g/mol
Exact Mass460.21
IUPAC Name7-chloro-N-[3-[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]propyl]quinolin-4-amine
SMILESCCN1CCN(c2nc(CCCNc3ccnc4cc(Cl)ccc34)c3ccccc3n2)CC1
InChIInChI=1S/C26H29ClN6/c1-2-32-14-16-33(17-15-32)26-30-23-7-4-3-6-20(23)24(31-26)8-5-12-28-22-11-13-29-25-18-19(27)9-10-21(22)25/h3-4,6-7,9-11,13,18H,2,5,8,12,14-17H2,1H3,(H,28,29)
InChIKeyJIQQGZWACSZJTQ-UHFFFAOYSA-N
XLogP5.02
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.01
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-chloro-N-[3-[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]propyl]quinolin-4-amine with MolForge

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Related Compounds

N-(7-chloroquinolin-4-yl)-N'-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 127050646
7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 46241896
N'-[6-chloro-2-[4-[[4-chloro-6-[3-[(7-chloroquinolin-4-yl)amino]propylamino]-2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidin-4-yl]-N-(7-chloroquinolin-4-yl)propane-1,3-diamine
CID 166938455
N-(7-chloroquinolin-4-yl)-N'-[4-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
CID 155808671
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N-[3-[4-[3-(butylamino)propyl]piperazin-1-yl]propyl]-7-chloroquinolin-4-amine
CID 11112538
N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine
CID 70691269
7-chloro-N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[2-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[3-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propyl]quinolin-4-amine;7-chloro-N-[2-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[3-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propyl]quinolin-4-amine
CID 159320495
N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-7-chloroquinolin-4-amine
CID 46929448
7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine
CID 11048809
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]propyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[3-[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]propyl]quinolin-4-amine (CID 157192844) is 7-chloro-N-[3-[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]propyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[3-[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]propyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[3-[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]propyl]quinolin-4-amine is CCN1CCN(c2nc(CCCNc3ccnc4cc(Cl)ccc34)c3ccccc3n2)CC1.
What is the InChIKey of 7-chloro-N-[3-[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]propyl]quinolin-4-amine?
The InChIKey is JIQQGZWACSZJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN6/c1-2-32-14-16-33(17-15-32)26-30-23-7-4-3-6-20(23)24(31-26)8-5-12-28-22-11-13-29-25-18-19(27)9-10-21(22)25/h3-4,6-7,9-11,13,18H,2,5,8,12,14-17H2,1H3,(H,28,29).
What are the key properties of 7-chloro-N-[3-[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]propyl]quinolin-4-amine?
7-chloro-N-[3-[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]propyl]quinolin-4-amine has a molecular weight of 461.01 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]propyl]quinolin-4-amine is sourced from PubChem (CID 157192844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).