[1-(2,3-dihydro-1H-inden-5-yl)-6-(morpholin-4-ylmethyl)-4-oxoquinolin-3-yl] propanoate

C26H28N2O4 — CID 175240912

IUPAC[1-(2,3-dihydro-1H-inden-5-yl)-6-(morpholin-4-ylmethyl)-4-oxoquinolin-3-yl] propanoate
SMILESCCC(=O)Oc1cn(-c2ccc3c(c2)CCC3)c2ccc(CN3CCOCC3)cc2c1=O
InChIInChI=1S/C26H28N2O4/c1-2-25(29)32-24-17-28(21-8-7-19-4-3-5-20(19)15-21)23-9-6-18(14-22(23)26(24)30)16-27-10-12-31-13-11-27/h6-9,14-15,17H,2-5,10-13,16H2,1H3
InChIKeyFMUBDIXJWOHDRQ-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.63
Rot. Bonds5

About [1-(2,3-dihydro-1H-inden-5-yl)-6-(morpholin-4-ylmethyl)-4-oxoquinolin-3-yl] propanoate

[1-(2,3-dihydro-1H-inden-5-yl)-6-(morpholin-4-ylmethyl)-4-oxoquinolin-3-yl] propanoate (PubChem CID 175240912) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-5-yl)-6-(morpholin-4-ylmethyl)-4-oxoquinolin-3-yl] propanoate.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-5-yl)-6-(morpholin-4-ylmethyl)-4-oxoquinolin-3-yl] propanoate
PubChem CID175240912
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name[1-(2,3-dihydro-1H-inden-5-yl)-6-(morpholin-4-ylmethyl)-4-oxoquinolin-3-yl] propanoate
SMILESCCC(=O)Oc1cn(-c2ccc3c(c2)CCC3)c2ccc(CN3CCOCC3)cc2c1=O
InChIInChI=1S/C26H28N2O4/c1-2-25(29)32-24-17-28(21-8-7-19-4-3-5-20(19)15-21)23-9-6-18(14-22(23)26(24)30)16-27-10-12-31-13-11-27/h6-9,14-15,17H,2-5,10-13,16H2,1H3
InChIKeyFMUBDIXJWOHDRQ-UHFFFAOYSA-N
XLogP3.63
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(morpholin-4-ylmethyl)-1-(4-morpholin-4-ylphenyl)-4-oxoquinolin-3-yl] propanoate
CID 174452435
N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-4-oxo-1-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 5277712
N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)-4-oxoquinoline-3-carboxamide
CID 5277713
N-[(4-chlorophenyl)methyl]-1-[3-(4-hydroxybutyl)phenyl]-6-(morpholin-4-ylmethyl)-4-oxoquinoline-3-carboxamide
CID 5277731
1-methyl-6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)quinolin-2-one
CID 177027614
carbamoyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[morpholin-4-yl(propyl)amino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 91368866
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
(2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100700382
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133200091
(3E)-5-butanoyl-1-(2,3-dihydro-1H-inden-5-yl)-3-ethylidene-2-methylidenepyridin-4-one
CID 143666431
methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate
CID 66876950
2-[ethyl-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
CID 122043129

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-5-yl)-6-(morpholin-4-ylmethyl)-4-oxoquinolin-3-yl] propanoate?
The IUPAC name of [1-(2,3-dihydro-1H-inden-5-yl)-6-(morpholin-4-ylmethyl)-4-oxoquinolin-3-yl] propanoate (CID 175240912) is [1-(2,3-dihydro-1H-inden-5-yl)-6-(morpholin-4-ylmethyl)-4-oxoquinolin-3-yl] propanoate.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-5-yl)-6-(morpholin-4-ylmethyl)-4-oxoquinolin-3-yl] propanoate?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-5-yl)-6-(morpholin-4-ylmethyl)-4-oxoquinolin-3-yl] propanoate is CCC(=O)Oc1cn(-c2ccc3c(c2)CCC3)c2ccc(CN3CCOCC3)cc2c1=O.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-5-yl)-6-(morpholin-4-ylmethyl)-4-oxoquinolin-3-yl] propanoate?
The InChIKey is FMUBDIXJWOHDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-2-25(29)32-24-17-28(21-8-7-19-4-3-5-20(19)15-21)23-9-6-18(14-22(23)26(24)30)16-27-10-12-31-13-11-27/h6-9,14-15,17H,2-5,10-13,16H2,1H3.
What are the key properties of [1-(2,3-dihydro-1H-inden-5-yl)-6-(morpholin-4-ylmethyl)-4-oxoquinolin-3-yl] propanoate?
[1-(2,3-dihydro-1H-inden-5-yl)-6-(morpholin-4-ylmethyl)-4-oxoquinolin-3-yl] propanoate has a molecular weight of 432.52 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-inden-5-yl)-6-(morpholin-4-ylmethyl)-4-oxoquinolin-3-yl] propanoate is sourced from PubChem (CID 175240912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).