N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide

C30H34ClN5O — CID 10973309

IUPACN-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide
SMILESO=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)c1cccc2ccccc12
InChIInChI=1S/C30H34ClN5O/c31-24-10-11-27-28(12-15-33-29(27)22-24)32-13-4-16-35-18-20-36(21-19-35)17-5-14-34-30(37)26-9-3-7-23-6-1-2-8-25(23)26/h1-3,6-12,15,22H,4-5,13-14,16-21H2,(H,32,33)(H,34,37)
InChIKeyVAGYBZBVJPZWJP-UHFFFAOYSA-N
MW516.09 g/mol
LogP5.28
Rot. Bonds10

About N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide

N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide (PubChem CID 10973309) has the molecular formula C30H34ClN5O and a molecular weight of 516.09 g/mol. Its IUPAC name is N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide
PubChem CID10973309
Molecular FormulaC30H34ClN5O
Molecular Weight516.09 g/mol
Exact Mass515.25
IUPAC NameN-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide
SMILESO=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)c1cccc2ccccc12
InChIInChI=1S/C30H34ClN5O/c31-24-10-11-27-28(12-15-33-29(27)22-24)32-13-4-16-35-18-20-36(21-19-35)17-5-14-34-30(37)26-9-3-7-23-6-1-2-8-25(23)26/h1-3,6-12,15,22H,4-5,13-14,16-21H2,(H,32,33)(H,34,37)
InChIKeyVAGYBZBVJPZWJP-UHFFFAOYSA-N
XLogP5.28
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.09
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide (CID 10973309) is N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide is O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)c1cccc2ccccc12.
What is the InChIKey of N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide?
The InChIKey is VAGYBZBVJPZWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN5O/c31-24-10-11-27-28(12-15-33-29(27)22-24)32-13-4-16-35-18-20-36(21-19-35)17-5-14-34-30(37)26-9-3-7-23-6-1-2-8-25(23)26/h1-3,6-12,15,22H,4-5,13-14,16-21H2,(H,32,33)(H,34,37).
What are the key properties of N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide?
N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide has a molecular weight of 516.09 g/mol, XLogP of 5.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide is sourced from PubChem (CID 10973309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).