methyl 2-[7-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-2-oxo-3,4-dihydroquinolin-1-yl]acetate

C26H27N5O7 — CID 75598241

IUPACmethyl 2-[7-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-2-oxo-3,4-dihydroquinolin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)CCc2ccc(N3CCOC(C(O)C(=O)Nc4ccc5c(c4)CN=C5N)C3=O)cc21
InChIInChI=1S/C26H27N5O7/c1-37-21(33)13-31-19-11-17(5-2-14(19)3-7-20(31)32)30-8-9-38-23(26(30)36)22(34)25(35)29-16-4-6-18-15(10-16)12-28-24(18)27/h2,4-6,10-11,22-23,34H,3,7-9,12-13H2,1H3,(H2,27,28)(H,29,35)
InChIKeyYNDPOKJUJSYRPM-UHFFFAOYSA-N
MW521.53 g/mol
LogP0.09
Rot. Bonds6

About methyl 2-[7-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-2-oxo-3,4-dihydroquinolin-1-yl]acetate

methyl 2-[7-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-2-oxo-3,4-dihydroquinolin-1-yl]acetate (PubChem CID 75598241) has the molecular formula C26H27N5O7 and a molecular weight of 521.53 g/mol. Its IUPAC name is methyl 2-[7-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-2-oxo-3,4-dihydroquinolin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[7-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-2-oxo-3,4-dihydroquinolin-1-yl]acetate
PubChem CID75598241
Molecular FormulaC26H27N5O7
Molecular Weight521.53 g/mol
Exact Mass521.19
IUPAC Namemethyl 2-[7-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-2-oxo-3,4-dihydroquinolin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)CCc2ccc(N3CCOC(C(O)C(=O)Nc4ccc5c(c4)CN=C5N)C3=O)cc21
InChIInChI=1S/C26H27N5O7/c1-37-21(33)13-31-19-11-17(5-2-14(19)3-7-20(31)32)30-8-9-38-23(26(30)36)22(34)25(35)29-16-4-6-18-15(10-16)12-28-24(18)27/h2,4-6,10-11,22-23,34H,3,7-9,12-13H2,1H3,(H2,27,28)(H,29,35)
InChIKeyYNDPOKJUJSYRPM-UHFFFAOYSA-N
XLogP0.09
TPSA163.86 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.53
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze methyl 2-[7-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-2-oxo-3,4-dihydroquinolin-1-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 46222375
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride
CID 67222335
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,4-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58182070
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-2-yl]acetamide
CID 58181541
2-[3-[(2R)-2-[(1R)-2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]phenyl]acetic acid
CID 50997352
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-(1-methyl-2-oxoquinolin-7-yl)-3-oxomorpholin-2-yl]acetamide
CID 58290388
N-(1-amino-3H-isoindol-5-yl)-2-[4-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 76717115
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide
CID 58290285
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[1-(cyclopropylmethyl)-2-oxoquinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58290622
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 67033797
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide
CID 50997176
methyl 2-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-5-(trifluoromethoxy)benzoate
CID 75598417

Frequently Asked Questions

What is the IUPAC name of methyl 2-[7-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-2-oxo-3,4-dihydroquinolin-1-yl]acetate?
The IUPAC name of methyl 2-[7-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-2-oxo-3,4-dihydroquinolin-1-yl]acetate (CID 75598241) is methyl 2-[7-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-2-oxo-3,4-dihydroquinolin-1-yl]acetate.
What is the SMILES notation for methyl 2-[7-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-2-oxo-3,4-dihydroquinolin-1-yl]acetate?
The canonical SMILES for methyl 2-[7-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-2-oxo-3,4-dihydroquinolin-1-yl]acetate is COC(=O)CN1C(=O)CCc2ccc(N3CCOC(C(O)C(=O)Nc4ccc5c(c4)CN=C5N)C3=O)cc21.
What is the InChIKey of methyl 2-[7-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-2-oxo-3,4-dihydroquinolin-1-yl]acetate?
The InChIKey is YNDPOKJUJSYRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O7/c1-37-21(33)13-31-19-11-17(5-2-14(19)3-7-20(31)32)30-8-9-38-23(26(30)36)22(34)25(35)29-16-4-6-18-15(10-16)12-28-24(18)27/h2,4-6,10-11,22-23,34H,3,7-9,12-13H2,1H3,(H2,27,28)(H,29,35).
What are the key properties of methyl 2-[7-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-2-oxo-3,4-dihydroquinolin-1-yl]acetate?
methyl 2-[7-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-2-oxo-3,4-dihydroquinolin-1-yl]acetate has a molecular weight of 521.53 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[7-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-2-oxo-3,4-dihydroquinolin-1-yl]acetate is sourced from PubChem (CID 75598241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).