4-[[4-(5-butylpyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one

C24H28N2O4 — CID 74224455

IUPAC4-[[4-(5-butylpyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
SMILESCCCCc1ccc(C(=O)N2CCOC(COc3cccc4c3CCC4=O)C2)nc1
InChIInChI=1S/C24H28N2O4/c1-2-3-5-17-8-10-21(25-14-17)24(28)26-12-13-29-18(15-26)16-30-23-7-4-6-19-20(23)9-11-22(19)27/h4,6-8,10,14,18H,2-3,5,9,11-13,15-16H2,1H3
InChIKeyYLGRQNRAEGSBHG-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.47
Rot. Bonds7

About 4-[[4-(5-butylpyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one

4-[[4-(5-butylpyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one (PubChem CID 74224455) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-[[4-(5-butylpyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-[[4-(5-butylpyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
PubChem CID74224455
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name4-[[4-(5-butylpyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
SMILESCCCCc1ccc(C(=O)N2CCOC(COc3cccc4c3CCC4=O)C2)nc1
InChIInChI=1S/C24H28N2O4/c1-2-3-5-17-8-10-21(25-14-17)24(28)26-12-13-29-18(15-26)16-30-23-7-4-6-19-20(23)9-11-22(19)27/h4,6-8,10,14,18H,2-3,5,9,11-13,15-16H2,1H3
InChIKeyYLGRQNRAEGSBHG-UHFFFAOYSA-N
XLogP3.47
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 3397743
(5-butyl-2-pyridinyl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone
CID 23987470
4-[[4-(2-fluoropyridine-3-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 5103890
4-[[4-[(E)-2,3-diphenylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 74224630
4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 3669900
4-[[4-[3-(2-phenylethenylsulfanyl)propanoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 3868696
(6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 92759778
(5-amino-2-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
CID 81317078
[2-(hydroxymethyl)morpholin-4-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 113436230
5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65454257
N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide
CID 71992880
CID 174024033
CID 174024033

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-butylpyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one?
The IUPAC name of 4-[[4-(5-butylpyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one (CID 74224455) is 4-[[4-(5-butylpyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-[[4-(5-butylpyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one?
The canonical SMILES for 4-[[4-(5-butylpyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one is CCCCc1ccc(C(=O)N2CCOC(COc3cccc4c3CCC4=O)C2)nc1.
What is the InChIKey of 4-[[4-(5-butylpyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one?
The InChIKey is YLGRQNRAEGSBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-2-3-5-17-8-10-21(25-14-17)24(28)26-12-13-29-18(15-26)16-30-23-7-4-6-19-20(23)9-11-22(19)27/h4,6-8,10,14,18H,2-3,5,9,11-13,15-16H2,1H3.
What are the key properties of 4-[[4-(5-butylpyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one?
4-[[4-(5-butylpyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one has a molecular weight of 408.50 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-butylpyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one is sourced from PubChem (CID 74224455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).