2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide;propane

C28H38N6O2 — CID 143883880

IUPAC2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide;propane
SMILESCCC.Cc1ncc(C(CNC(=O)c2cccc3nc(NCC4CC4)ccc23)N2CCOCC2)cn1
InChIInChI=1S/C25H30N6O2.C3H8/c1-17-26-14-19(15-27-17)23(31-9-11-33-12-10-31)16-29-25(32)21-3-2-4-22-20(21)7-8-24(30-22)28-13-18-5-6-18;1-3-2/h2-4,7-8,14-15,18,23H,5-6,9-13,16H2,1H3,(H,28,30)(H,29,32);3H2,1-2H3
InChIKeyREUWNHRXIBIUME-UHFFFAOYSA-N
MW490.65 g/mol
LogP4.37
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide;propane

2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide;propane (PubChem CID 143883880) has the molecular formula C28H38N6O2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide;propane.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide;propane
PubChem CID143883880
Molecular FormulaC28H38N6O2
Molecular Weight490.65 g/mol
Exact Mass490.31
IUPAC Name2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide;propane
SMILESCCC.Cc1ncc(C(CNC(=O)c2cccc3nc(NCC4CC4)ccc23)N2CCOCC2)cn1
InChIInChI=1S/C25H30N6O2.C3H8/c1-17-26-14-19(15-27-17)23(31-9-11-33-12-10-31)16-29-25(32)21-3-2-4-22-20(21)7-8-24(30-22)28-13-18-5-6-18;1-3-2/h2-4,7-8,14-15,18,23H,5-6,9-13,16H2,1H3,(H,28,30)(H,29,32);3H2,1-2H3
InChIKeyREUWNHRXIBIUME-UHFFFAOYSA-N
XLogP4.37
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide;propane with MolForge

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Related Compounds

2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide
CID 143883881
2-(cyclopropylmethylamino)-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-piperazin-1-ylpyrimidin-5-yl)ethyl]quinoline-5-carboxamide
CID 58227915
N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2-(3-propan-2-yloxypropylamino)quinoline-5-carboxamide
CID 58228401
2-chloro-N-[2-(2-methylpyrimidin-5-yl)-2-thiomorpholin-4-ylethyl]quinoline-5-carboxamide
CID 143883825
N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2-(1,4-oxazepan-4-yl)quinoline-5-carboxamide
CID 58228049
N-[(2S)-2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2-morpholin-4-ylquinoline-5-carboxamide;sulfane
CID 159795838
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
CID 18168885
N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-ethoxypyrimidin-5-yl)ethyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide
CID 58228206
N-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide
CID 139000419
N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]-2-methoxybenzamide
CID 112503598
2-(butan-2-ylamino)-6-chloro-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide
CID 58228356
2-ethoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 34949540

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide;propane?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide;propane (CID 143883880) is 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide;propane.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide;propane?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide;propane is CCC.Cc1ncc(C(CNC(=O)c2cccc3nc(NCC4CC4)ccc23)N2CCOCC2)cn1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide;propane?
The InChIKey is REUWNHRXIBIUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2.C3H8/c1-17-26-14-19(15-27-17)23(31-9-11-33-12-10-31)16-29-25(32)21-3-2-4-22-20(21)7-8-24(30-22)28-13-18-5-6-18;1-3-2/h2-4,7-8,14-15,18,23H,5-6,9-13,16H2,1H3,(H,28,30)(H,29,32);3H2,1-2H3.
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide;propane?
2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide;propane has a molecular weight of 490.65 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethyl]quinoline-5-carboxamide;propane is sourced from PubChem (CID 143883880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).