(E)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-phenylprop-2-enamide

C21H20ClN3O — CID 71520744

IUPAC(E)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H20ClN3O/c22-17-8-9-18-19(11-14-24-20(18)15-17)23-12-4-13-25-21(26)10-7-16-5-2-1-3-6-16/h1-3,5-11,14-15H,4,12-13H2,(H,23,24)(H,25,26)/b10-7+
InChIKeyHDEVRLAAADSHHX-JXMROGBWSA-N
MW365.86 g/mol
LogP4.52
Rot. Bonds7

About (E)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-phenylprop-2-enamide

(E)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-phenylprop-2-enamide (PubChem CID 71520744) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is (E)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-phenylprop-2-enamide
PubChem CID71520744
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name(E)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H20ClN3O/c22-17-8-9-18-19(11-14-24-20(18)15-17)23-12-4-13-25-21(26)10-7-16-5-2-1-3-6-16/h1-3,5-11,14-15H,4,12-13H2,(H,23,24)(H,25,26)/b10-7+
InChIKeyHDEVRLAAADSHHX-JXMROGBWSA-N
XLogP4.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 66556004
(E)-N-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 71520943
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
(Z)-N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)prop-2-enamide
CID 66988429
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide
CID 42743625
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 44544026
4-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzamide
CID 42743599
N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide
CID 42707271
tert-butyl N-[1-[(E)-4-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-4-oxobut-2-enoyl]piperidin-4-yl]carbamate
CID 162655760
tert-butyl N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]amino]propyl]carbamate
CID 118890347
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
1-benzyl-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperidine-3-carboxamide
CID 133159185

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-phenylprop-2-enamide (CID 71520744) is (E)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of (E)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-phenylprop-2-enamide?
The InChIKey is HDEVRLAAADSHHX-JXMROGBWSA-N. The full InChI is InChI=1S/C21H20ClN3O/c22-17-8-9-18-19(11-14-24-20(18)15-17)23-12-4-13-25-21(26)10-7-16-5-2-1-3-6-16/h1-3,5-11,14-15H,4,12-13H2,(H,23,24)(H,25,26)/b10-7+.
What are the key properties of (E)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-phenylprop-2-enamide?
(E)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-phenylprop-2-enamide has a molecular weight of 365.86 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 71520744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).