ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinazolin-2-yl]morpholine

C27H35N5O3 — CID 170708289

IUPACethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinazolin-2-yl]morpholine
SMILESCC.O=C1NCc2cc(O)ccc21.c1cc2nc(N3CCOCC3)ncc2cc1CN1CCCC1
InChIInChI=1S/C17H22N4O.C8H7NO2.C2H6/c1-2-6-20(5-1)13-14-3-4-16-15(11-14)12-18-17(19-16)21-7-9-22-10-8-21;10-6-1-2-7-5(3-6)4-9-8(7)11;1-2/h3-4,11-12H,1-2,5-10,13H2;1-3,10H,4H2,(H,9,11);1-2H3
InChIKeyQZMOLDLNXLUNSO-UHFFFAOYSA-N
MW477.61 g/mol
LogP3.72
Rot. Bonds3

About ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinazolin-2-yl]morpholine

ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinazolin-2-yl]morpholine (PubChem CID 170708289) has the molecular formula C27H35N5O3 and a molecular weight of 477.61 g/mol. Its IUPAC name is ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinazolin-2-yl]morpholine.

Molecular Properties

Compound Nameethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinazolin-2-yl]morpholine
PubChem CID170708289
Molecular FormulaC27H35N5O3
Molecular Weight477.61 g/mol
Exact Mass477.27
IUPAC Nameethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinazolin-2-yl]morpholine
SMILESCC.O=C1NCc2cc(O)ccc21.c1cc2nc(N3CCOCC3)ncc2cc1CN1CCCC1
InChIInChI=1S/C17H22N4O.C8H7NO2.C2H6/c1-2-6-20(5-1)13-14-3-4-16-15(11-14)12-18-17(19-16)21-7-9-22-10-8-21;10-6-1-2-7-5(3-6)4-9-8(7)11;1-2/h3-4,11-12H,1-2,5-10,13H2;1-3,10H,4H2,(H,9,11);1-2H3
InChIKeyQZMOLDLNXLUNSO-UHFFFAOYSA-N
XLogP3.72
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]morpholine
CID 170708040
4-(6-methylquinazolin-2-yl)morpholine
CID 146428087
2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline
CID 174283606
(3S)-3-[6-[(3R)-4,4-difluoro-1-[(2-morpholin-4-ylquinazolin-6-yl)methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170708016
(3R)-3-[6-[(3S)-1-[(2-morpholin-4-ylquinazolin-6-yl)methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170707772
1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid
CID 57407163
2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline
CID 174284496
4-pyrido[3,2-d]pyrimidin-2-ylmorpholine
CID 67130702
N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine
CID 87011463
6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline
CID 166605676
tert-butyl 2-[6-(4-hydroxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-5-(piperidin-1-ylmethyl)indole-1-carboxylate
CID 68809003
methyl 5-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzoate
CID 118695822

Frequently Asked Questions

What is the IUPAC name of ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinazolin-2-yl]morpholine?
The IUPAC name of ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinazolin-2-yl]morpholine (CID 170708289) is ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinazolin-2-yl]morpholine.
What is the SMILES notation for ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinazolin-2-yl]morpholine?
The canonical SMILES for ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinazolin-2-yl]morpholine is CC.O=C1NCc2cc(O)ccc21.c1cc2nc(N3CCOCC3)ncc2cc1CN1CCCC1.
What is the InChIKey of ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinazolin-2-yl]morpholine?
The InChIKey is QZMOLDLNXLUNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.C8H7NO2.C2H6/c1-2-6-20(5-1)13-14-3-4-16-15(11-14)12-18-17(19-16)21-7-9-22-10-8-21;10-6-1-2-7-5(3-6)4-9-8(7)11;1-2/h3-4,11-12H,1-2,5-10,13H2;1-3,10H,4H2,(H,9,11);1-2H3.
What are the key properties of ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinazolin-2-yl]morpholine?
ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinazolin-2-yl]morpholine has a molecular weight of 477.61 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinazolin-2-yl]morpholine is sourced from PubChem (CID 170708289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).