N-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide

C25H28N4O2 — CID 139000419

IUPACN-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide
SMILESO=C(NC1CC1)c1cc(NCC(c2ccccc2)N2CCOCC2)nc2ccccc12
InChIInChI=1S/C25H28N4O2/c30-25(27-19-10-11-19)21-16-24(28-22-9-5-4-8-20(21)22)26-17-23(18-6-2-1-3-7-18)29-12-14-31-15-13-29/h1-9,16,19,23H,10-15,17H2,(H,26,28)(H,27,30)
InChIKeyNIZOLLSWUWZXCG-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.61
Rot. Bonds7

About N-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide

N-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide (PubChem CID 139000419) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide
PubChem CID139000419
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide
SMILESO=C(NC1CC1)c1cc(NCC(c2ccccc2)N2CCOCC2)nc2ccccc12
InChIInChI=1S/C25H28N4O2/c30-25(27-19-10-11-19)21-16-24(28-22-9-5-4-8-20(21)22)26-17-23(18-6-2-1-3-7-18)29-12-14-31-15-13-29/h1-9,16,19,23H,10-15,17H2,(H,26,28)(H,27,30)
InChIKeyNIZOLLSWUWZXCG-UHFFFAOYSA-N
XLogP3.61
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide with MolForge

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Related Compounds

Cabamiquine
CID 71748268
N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
CID 24963046
4-Butyl-N-[2-(4-ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-benzamide
CID 3410248
N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]cyclohexanecarboxamide
CID 5067281
6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 44180013
3-(4-Morpholin-4-yl-piperidin-1-ylmethyl)-2-phenyl-quinoline-4-carboxylic acid (1-cyclohexyl-ethyl)-amide
CID 10370066
5-(3-chloroanilino)-N-(2-morpholin-4-ylethyl)benzo[c][2,6]naphthyridine-8-carboxamide
CID 57876932
6-fluoro-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 71767101
8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030093
4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide
CID 3237927
2-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 10093232
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide
CID 15987804

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide (CID 139000419) is N-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide is O=C(NC1CC1)c1cc(NCC(c2ccccc2)N2CCOCC2)nc2ccccc12.
What is the InChIKey of N-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide?
The InChIKey is NIZOLLSWUWZXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c30-25(27-19-10-11-19)21-16-24(28-22-9-5-4-8-20(21)22)26-17-23(18-6-2-1-3-7-18)29-12-14-31-15-13-29/h1-9,16,19,23H,10-15,17H2,(H,26,28)(H,27,30).
What are the key properties of N-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide?
N-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide is sourced from PubChem (CID 139000419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).