N-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-morpholin-4-ylethyl]-2-morpholin-4-ylquinoline-5-carboxamide

C27H31F2N5O3 — CID 143883900

IUPACN-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-morpholin-4-ylethyl]-2-morpholin-4-ylquinoline-5-carboxamide
SMILESCC(F)(F)c1ccc(C(CNC(=O)c2cccc3nc(N4CCOCC4)ccc23)N2CCOCC2)cn1
InChIInChI=1S/C27H31F2N5O3/c1-27(28,29)24-7-5-19(17-30-24)23(33-9-13-36-14-10-33)18-31-26(35)21-3-2-4-22-20(21)6-8-25(32-22)34-11-15-37-16-12-34/h2-8,17,23H,9-16,18H2,1H3,(H,31,35)
InChIKeyDTOLJAJSDVZRBG-UHFFFAOYSA-N
MW511.57 g/mol
LogP3.38
Rot. Bonds7

About N-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-morpholin-4-ylethyl]-2-morpholin-4-ylquinoline-5-carboxamide

N-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-morpholin-4-ylethyl]-2-morpholin-4-ylquinoline-5-carboxamide (PubChem CID 143883900) has the molecular formula C27H31F2N5O3 and a molecular weight of 511.57 g/mol. Its IUPAC name is N-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-morpholin-4-ylethyl]-2-morpholin-4-ylquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-morpholin-4-ylethyl]-2-morpholin-4-ylquinoline-5-carboxamide
PubChem CID143883900
Molecular FormulaC27H31F2N5O3
Molecular Weight511.57 g/mol
Exact Mass511.24
IUPAC NameN-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-morpholin-4-ylethyl]-2-morpholin-4-ylquinoline-5-carboxamide
SMILESCC(F)(F)c1ccc(C(CNC(=O)c2cccc3nc(N4CCOCC4)ccc23)N2CCOCC2)cn1
InChIInChI=1S/C27H31F2N5O3/c1-27(28,29)24-7-5-19(17-30-24)23(33-9-13-36-14-10-33)18-31-26(35)21-3-2-4-22-20(21)6-8-25(32-22)34-11-15-37-16-12-34/h2-8,17,23H,9-16,18H2,1H3,(H,31,35)
InChIKeyDTOLJAJSDVZRBG-UHFFFAOYSA-N
XLogP3.38
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.57
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-morpholin-4-ylethyl]-2-morpholin-4-ylquinoline-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
CID 24963046
2-fluoro-N-{2-[5-methyl-6-(morpholin-4-yl)pyridin-3-yl]propan-2-yl}-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748745
1-(2-(4-Methyl-3-(2-(methylamino)quinazolin-6-yl)benzamido)-4-(trifluoromethyl)phenyl)-3-(2-morpholinoethyl)urea
CID 16086107
4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086114
4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-(2-(3-morpholinopropylamino)quinazolin-6-yl)benzamide
CID 16086116
5-(3-chloroanilino)-N-(2-morpholin-4-ylethyl)benzo[c][2,6]naphthyridine-8-carboxamide
CID 57876932
2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyridin-4-yl]-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117610115
7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylindole-6-carboxamide
CID 118227109
8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129029978
8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129029979
8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030093
N-[2-(dimethylamino)ethyl]-8-[(3-fluoro-2-methylanilino)methyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030181

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-morpholin-4-ylethyl]-2-morpholin-4-ylquinoline-5-carboxamide?
The IUPAC name of N-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-morpholin-4-ylethyl]-2-morpholin-4-ylquinoline-5-carboxamide (CID 143883900) is N-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-morpholin-4-ylethyl]-2-morpholin-4-ylquinoline-5-carboxamide.
What is the SMILES notation for N-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-morpholin-4-ylethyl]-2-morpholin-4-ylquinoline-5-carboxamide?
The canonical SMILES for N-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-morpholin-4-ylethyl]-2-morpholin-4-ylquinoline-5-carboxamide is CC(F)(F)c1ccc(C(CNC(=O)c2cccc3nc(N4CCOCC4)ccc23)N2CCOCC2)cn1.
What is the InChIKey of N-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-morpholin-4-ylethyl]-2-morpholin-4-ylquinoline-5-carboxamide?
The InChIKey is DTOLJAJSDVZRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N5O3/c1-27(28,29)24-7-5-19(17-30-24)23(33-9-13-36-14-10-33)18-31-26(35)21-3-2-4-22-20(21)6-8-25(32-22)34-11-15-37-16-12-34/h2-8,17,23H,9-16,18H2,1H3,(H,31,35).
What are the key properties of N-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-morpholin-4-ylethyl]-2-morpholin-4-ylquinoline-5-carboxamide?
N-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-morpholin-4-ylethyl]-2-morpholin-4-ylquinoline-5-carboxamide has a molecular weight of 511.57 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-morpholin-4-ylethyl]-2-morpholin-4-ylquinoline-5-carboxamide is sourced from PubChem (CID 143883900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).