8-(3-acetylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one

C24H25N5O4 — CID 70684450

IUPAC8-(3-acetylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
SMILESCC(=O)c1cccc(Nc2ncnc3cc4oc(=O)n(CCCN5CCOCC5)c4cc23)c1
InChIInChI=1S/C24H25N5O4/c1-16(30)17-4-2-5-18(12-17)27-23-19-13-21-22(14-20(19)25-15-26-23)33-24(31)29(21)7-3-6-28-8-10-32-11-9-28/h2,4-5,12-15H,3,6-11H2,1H3,(H,25,26,27)
InChIKeyRAEOEBBAAKUVNC-UHFFFAOYSA-N
MW447.50 g/mol
LogP3.21
Rot. Bonds7

About 8-(3-acetylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one

8-(3-acetylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one (PubChem CID 70684450) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is 8-(3-acetylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one.

Molecular Properties

Compound Name8-(3-acetylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
PubChem CID70684450
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name8-(3-acetylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
SMILESCC(=O)c1cccc(Nc2ncnc3cc4oc(=O)n(CCCN5CCOCC5)c4cc23)c1
InChIInChI=1S/C24H25N5O4/c1-16(30)17-4-2-5-18(12-17)27-23-19-13-21-22(14-20(19)25-15-26-23)33-24(31)29(21)7-3-6-28-8-10-32-11-9-28/h2,4-5,12-15H,3,6-11H2,1H3,(H,25,26,27)
InChIKeyRAEOEBBAAKUVNC-UHFFFAOYSA-N
XLogP3.21
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-(3-acetylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one with MolForge

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Related Compounds

4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-morpholino)propoxy)quinazoline
CID 9914412
N-(2,6-diethylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
CID 122632882
N-(1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330179
4-[7-methoxy-6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121280741
Epitinib
CID 59142777
(4S)-N-[7-ethoxy-4-[[(1S)-1-phenylethyl]amino]quinazolin-6-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 127049383
N-[3-(6,7-Dimethoxy-quinazolin-4-ylamino)-4-methyl-phenyl]-3-morpholin-4-yl-benzamide
CID 44395044
N-{7-[3-(4-Methyl-piperazin-1-yl)-propoxy]-4-m-tolylamino-quinazolin-6-yl}-acrylamide
CID 10504176
N-[7-(3-Morpholin-4-yl-propoxy)-4-m-tolylamino-quinazolin-6-yl]-acrylamide
CID 10789593
(E)-4-(dimethylamino)-N-[7-ethoxy-4-[(4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]quinazolin-6-yl]but-2-enamide
CID 16745310
(2E)-4-(dimethylamino)-N-[7-ethoxy-4-({4-[(3-fluorobenzyl)oxy]-3,6-dioxocyclohexa-1,4-dien-1-yl}amino)quinazolin-6-yl]but-2-enamide
CID 44428888
2-Butenamide,4-(dimethylamino)-N-[4-[[3,6-dioxo-4-(phenylmethoxy)-1,4-cyclohexadien-1-yl]amino]-7-ethoxy-6-quinazolinyl]-,(2E)-
CID 44428890

Frequently Asked Questions

What is the IUPAC name of 8-(3-acetylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The IUPAC name of 8-(3-acetylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one (CID 70684450) is 8-(3-acetylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one.
What is the SMILES notation for 8-(3-acetylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The canonical SMILES for 8-(3-acetylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one is CC(=O)c1cccc(Nc2ncnc3cc4oc(=O)n(CCCN5CCOCC5)c4cc23)c1.
What is the InChIKey of 8-(3-acetylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The InChIKey is RAEOEBBAAKUVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-16(30)17-4-2-5-18(12-17)27-23-19-13-21-22(14-20(19)25-15-26-23)33-24(31)29(21)7-3-6-28-8-10-32-11-9-28/h2,4-5,12-15H,3,6-11H2,1H3,(H,25,26,27).
What are the key properties of 8-(3-acetylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
8-(3-acetylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one has a molecular weight of 447.50 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-acetylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one is sourced from PubChem (CID 70684450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).