N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(diethylamino)propanamide

C19H27ClN4O — CID 24828280

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(diethylamino)propanamide
SMILESCCN(CC)CCC(=O)NCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H27ClN4O/c1-3-24(4-2)13-9-19(25)23-11-5-10-21-17-8-12-22-18-14-15(20)6-7-16(17)18/h6-8,12,14H,3-5,9-11,13H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyKRCKOBGLIPYLCX-UHFFFAOYSA-N
MW362.91 g/mol
LogP3.54
Rot. Bonds10

About N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(diethylamino)propanamide

N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(diethylamino)propanamide (PubChem CID 24828280) has the molecular formula C19H27ClN4O and a molecular weight of 362.91 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(diethylamino)propanamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(diethylamino)propanamide
PubChem CID24828280
Molecular FormulaC19H27ClN4O
Molecular Weight362.91 g/mol
Exact Mass362.19
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(diethylamino)propanamide
SMILESCCN(CC)CCC(=O)NCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H27ClN4O/c1-3-24(4-2)13-9-19(25)23-11-5-10-21-17-8-12-22-18-14-15(20)6-7-16(17)18/h6-8,12,14H,3-5,9-11,13H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyKRCKOBGLIPYLCX-UHFFFAOYSA-N
XLogP3.54
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(7-chloroquinolin-4-yl)amino]propyl]-3-(diethylamino)propanamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(diethylamino)propanamide (CID 24828280) is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(diethylamino)propanamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(diethylamino)propanamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(diethylamino)propanamide is CCN(CC)CCC(=O)NCCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(diethylamino)propanamide?
The InChIKey is KRCKOBGLIPYLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O/c1-3-24(4-2)13-9-19(25)23-11-5-10-21-17-8-12-22-18-14-15(20)6-7-16(17)18/h6-8,12,14H,3-5,9-11,13H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(diethylamino)propanamide?
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(diethylamino)propanamide has a molecular weight of 362.91 g/mol, XLogP of 3.54, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(diethylamino)propanamide is sourced from PubChem (CID 24828280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).