N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide

C27H38ClN5O — CID 11454530

IUPACN-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)CC1CC1
InChIInChI=1S/C27H38ClN5O/c28-23-7-8-24-25(9-11-30-26(24)19-23)29-10-1-12-31-15-17-32(18-16-31)13-2-14-33(20-21-3-4-21)27(34)22-5-6-22/h7-9,11,19,21-22H,1-6,10,12-18,20H2,(H,29,30)
InChIKeyGFBYCELIYZMSCW-UHFFFAOYSA-N
MW484.09 g/mol
LogP4.35
Rot. Bonds12

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

N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide (PubChem CID 11454530) has the molecular formula C27H38ClN5O and a molecular weight of 484.09 g/mol. Its IUPAC name is N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide
PubChem CID11454530
Molecular FormulaC27H38ClN5O
Molecular Weight484.09 g/mol
Exact Mass483.28
IUPAC NameN-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)CC1CC1
InChIInChI=1S/C27H38ClN5O/c28-23-7-8-24-25(9-11-30-26(24)19-23)29-10-1-12-31-15-17-32(18-16-31)13-2-14-33(20-21-3-4-21)27(34)22-5-6-22/h7-9,11,19,21-22H,1-6,10,12-18,20H2,(H,29,30)
InChIKeyGFBYCELIYZMSCW-UHFFFAOYSA-N
XLogP4.35
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.09
LogP ≤ 54.35
H-Bond Donors ≤ 51
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]-N-(cyclopropylmethyl)cyclopropanecarboxamide?
The IUPAC name of N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide (CID 11454530) is N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide?
The canonical SMILES for N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide is O=C(C1CC1)N(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)CC1CC1.
What is the InChIKey of N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide?
The InChIKey is GFBYCELIYZMSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38ClN5O/c28-23-7-8-24-25(9-11-30-26(24)19-23)29-10-1-12-31-15-17-32(18-16-31)13-2-14-33(20-21-3-4-21)27(34)22-5-6-22/h7-9,11,19,21-22H,1-6,10,12-18,20H2,(H,29,30).
What are the key properties of N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide?
N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide has a molecular weight of 484.09 g/mol, XLogP of 4.35, 12 rotatable bonds, 1 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]-N-(cyclopropylmethyl)cyclopropanecarboxamide is sourced from PubChem (CID 11454530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).