3-morpholin-4-yl-6-(1-phenylethyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one

C21H23N5O2 — CID 136984248

IUPAC3-morpholin-4-yl-6-(1-phenylethyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
SMILESCC(c1ccccc1)N1Cc2cc3c(N4CCOCC4)n[nH]c3cc2NC1=O
InChIInChI=1S/C21H23N5O2/c1-14(15-5-3-2-4-6-15)26-13-16-11-17-19(12-18(16)22-21(26)27)23-24-20(17)25-7-9-28-10-8-25/h2-6,11-12,14H,7-10,13H2,1H3,(H,22,27)(H,23,24)
InChIKeyLRVBDFADGWOHAX-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.51
Rot. Bonds3

About 3-morpholin-4-yl-6-(1-phenylethyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one

3-morpholin-4-yl-6-(1-phenylethyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one (PubChem CID 136984248) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-morpholin-4-yl-6-(1-phenylethyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one.

Molecular Properties

Compound Name3-morpholin-4-yl-6-(1-phenylethyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
PubChem CID136984248
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-morpholin-4-yl-6-(1-phenylethyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
SMILESCC(c1ccccc1)N1Cc2cc3c(N4CCOCC4)n[nH]c3cc2NC1=O
InChIInChI=1S/C21H23N5O2/c1-14(15-5-3-2-4-6-15)26-13-16-11-17-19(12-18(16)22-21(26)27)23-24-20(17)25-7-9-28-10-8-25/h2-6,11-12,14H,7-10,13H2,1H3,(H,22,27)(H,23,24)
InChIKeyLRVBDFADGWOHAX-UHFFFAOYSA-N
XLogP3.51
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

formic acid;3-(2-methoxypyrimidin-5-yl)-6-(1-phenylethyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
CID 137255975
6-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
CID 137101218
6-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
CID 137101202
3-iodo-6-(1-phenylethyl)-1-trityl-5,8-dihydropyrazolo[4,5-g]quinazolin-7-one
CID 136984246
3-methoxy-6-[(1R)-1-phenylethyl]-1-trityl-5,8-dihydropyrazolo[4,5-g]quinazolin-7-one
CID 136984215
3-(ethylamino)-6-[(1R)-1-phenylethyl]-1-trityl-5,8-dihydropyrazolo[4,5-g]quinazolin-7-one
CID 136984195
[3-(2-methoxypyrimidin-5-yl)-7-oxo-6-[(1R)-1-phenylethyl]-5,8-dihydropyrazolo[4,5-g]quinazolin-1-yl] formate
CID 137255976
(2'S,3R)-2'-[3-[(E)-2-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 56959989
1-[3-(4-hydroxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118380878
1-[4-(hydroxymethyl)-3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-hydroxy-2-methyl-1-phenylpropyl)urea
CID 123207997
6-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1-trityl-5,8-dihydropyrazolo[4,5-g]quinazolin-7-one
CID 136984209
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-6-(1-phenylethyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
The IUPAC name of 3-morpholin-4-yl-6-(1-phenylethyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one (CID 136984248) is 3-morpholin-4-yl-6-(1-phenylethyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one.
What is the SMILES notation for 3-morpholin-4-yl-6-(1-phenylethyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
The canonical SMILES for 3-morpholin-4-yl-6-(1-phenylethyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one is CC(c1ccccc1)N1Cc2cc3c(N4CCOCC4)n[nH]c3cc2NC1=O.
What is the InChIKey of 3-morpholin-4-yl-6-(1-phenylethyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
The InChIKey is LRVBDFADGWOHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14(15-5-3-2-4-6-15)26-13-16-11-17-19(12-18(16)22-21(26)27)23-24-20(17)25-7-9-28-10-8-25/h2-6,11-12,14H,7-10,13H2,1H3,(H,22,27)(H,23,24).
What are the key properties of 3-morpholin-4-yl-6-(1-phenylethyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
3-morpholin-4-yl-6-(1-phenylethyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one has a molecular weight of 377.45 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-6-(1-phenylethyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one is sourced from PubChem (CID 136984248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).