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

C24H27N5O3 — CID 70694948

IUPAC1-(3-morpholin-4-ylpropyl)-8-[[(1S)-1-phenylethyl]amino]-[1,3]oxazolo[4,5-g]quinazolin-2-one
SMILESC[C@H](Nc1ncnc2cc3oc(=O)n(CCCN4CCOCC4)c3cc12)c1ccccc1
InChIInChI=1S/C24H27N5O3/c1-17(18-6-3-2-4-7-18)27-23-19-14-21-22(15-20(19)25-16-26-23)32-24(30)29(21)9-5-8-28-10-12-31-13-11-28/h2-4,6-7,14-17H,5,8-13H2,1H3,(H,25,26,27)/t17-/m0/s1
InChIKeyMYTTUHJKUWGZNX-KRWDZBQOSA-N
MW433.51 g/mol
LogP3.43
Rot. Bonds7

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

1-(3-morpholin-4-ylpropyl)-8-[[(1S)-1-phenylethyl]amino]-[1,3]oxazolo[4,5-g]quinazolin-2-one (PubChem CID 70694948) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-8-[[(1S)-1-phenylethyl]amino]-[1,3]oxazolo[4,5-g]quinazolin-2-one.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-8-[[(1S)-1-phenylethyl]amino]-[1,3]oxazolo[4,5-g]quinazolin-2-one
PubChem CID70694948
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name1-(3-morpholin-4-ylpropyl)-8-[[(1S)-1-phenylethyl]amino]-[1,3]oxazolo[4,5-g]quinazolin-2-one
SMILESC[C@H](Nc1ncnc2cc3oc(=O)n(CCCN4CCOCC4)c3cc12)c1ccccc1
InChIInChI=1S/C24H27N5O3/c1-17(18-6-3-2-4-7-18)27-23-19-14-21-22(15-20(19)25-16-26-23)32-24(30)29(21)9-5-8-28-10-12-31-13-11-28/h2-4,6-7,14-17H,5,8-13H2,1H3,(H,25,26,27)/t17-/m0/s1
InChIKeyMYTTUHJKUWGZNX-KRWDZBQOSA-N
XLogP3.43
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-(3-morpholin-4-ylpropyl)-8-[[(1R)-1-phenylethyl]amino]-[1,3]oxazolo[4,5-g]quinazolin-2-one
CID 70682363
8-(2-hydroxyanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
CID 70682361
(E)-4,4-difluoro-7-morpholin-4-yl-N-[4-(1-phenylethylamino)pyrido[3,4-d]pyrimidin-6-yl]hept-2-enamide
CID 18176190
4-(2-hydroxyethyl)-N-(3-morpholin-4-ylpropyl)-1-[4-(1-phenylethylamino)quinazolin-6-yl]pyrrole-3-carboxamide
CID 25176772
6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 85331374
1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 25316013
1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 10084115
4-(3-morpholin-4-ylpropyl)-2-[[(1R)-1-phenylethyl]amino]-1H-pyrimidin-6-one
CID 136891657
7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
CID 22269913
methyl 1-[3-[6-amino-4-(1-phenylethylamino)quinazolin-7-yl]oxypropyl]pyrrolidine-2-carboxylate
CID 22269954
[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone
CID 59837956
6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 23489551

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-8-[[(1S)-1-phenylethyl]amino]-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-8-[[(1S)-1-phenylethyl]amino]-[1,3]oxazolo[4,5-g]quinazolin-2-one (CID 70694948) is 1-(3-morpholin-4-ylpropyl)-8-[[(1S)-1-phenylethyl]amino]-[1,3]oxazolo[4,5-g]quinazolin-2-one.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-8-[[(1S)-1-phenylethyl]amino]-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-8-[[(1S)-1-phenylethyl]amino]-[1,3]oxazolo[4,5-g]quinazolin-2-one is C[C@H](Nc1ncnc2cc3oc(=O)n(CCCN4CCOCC4)c3cc12)c1ccccc1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-8-[[(1S)-1-phenylethyl]amino]-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The InChIKey is MYTTUHJKUWGZNX-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-17(18-6-3-2-4-7-18)27-23-19-14-21-22(15-20(19)25-16-26-23)32-24(30)29(21)9-5-8-28-10-12-31-13-11-28/h2-4,6-7,14-17H,5,8-13H2,1H3,(H,25,26,27)/t17-/m0/s1.
What are the key properties of 1-(3-morpholin-4-ylpropyl)-8-[[(1S)-1-phenylethyl]amino]-[1,3]oxazolo[4,5-g]quinazolin-2-one?
1-(3-morpholin-4-ylpropyl)-8-[[(1S)-1-phenylethyl]amino]-[1,3]oxazolo[4,5-g]quinazolin-2-one has a molecular weight of 433.51 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-8-[[(1S)-1-phenylethyl]amino]-[1,3]oxazolo[4,5-g]quinazolin-2-one is sourced from PubChem (CID 70694948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).