7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-[1,3]oxazolo[4,5-c]quinolin-4-one

C24H22F2N4O3 — CID 126716562

IUPAC7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCc1c(-c2cc(F)c(N)cc2F)ccc2c3oc([C@H]4CNCCO4)nc3c(=O)n(C3CC3)c12
InChIInChI=1S/C24H22F2N4O3/c1-11-13(15-8-17(26)18(27)9-16(15)25)4-5-14-21(11)30(12-2-3-12)24(31)20-22(14)33-23(29-20)19-10-28-6-7-32-19/h4-5,8-9,12,19,28H,2-3,6-7,10,27H2,1H3/t19-/m1/s1
InChIKeyDWAZTAMJDUVAKM-LJQANCHMSA-N
MW452.46 g/mol
LogP3.97
Rot. Bonds3

About 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-[1,3]oxazolo[4,5-c]quinolin-4-one

7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 126716562) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID126716562
Molecular FormulaC24H22F2N4O3
Molecular Weight452.46 g/mol
Exact Mass452.17
IUPAC Name7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCc1c(-c2cc(F)c(N)cc2F)ccc2c3oc([C@H]4CNCCO4)nc3c(=O)n(C3CC3)c12
InChIInChI=1S/C24H22F2N4O3/c1-11-13(15-8-17(26)18(27)9-16(15)25)4-5-14-21(11)30(12-2-3-12)24(31)20-22(14)33-23(29-20)19-10-28-6-7-32-19/h4-5,8-9,12,19,28H,2-3,6-7,10,27H2,1H3/t19-/m1/s1
InChIKeyDWAZTAMJDUVAKM-LJQANCHMSA-N
XLogP3.97
TPSA95.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-[1,3]oxazolo[4,5-c]quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-amino-5-[5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile
CID 126716558
7-(4-amino-2,5-difluorophenyl)-2-(2-aminoethyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 126697869
7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-pyridin-3-yl-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 126697950
7-(4-amino-2,5-difluorophenyl)-2-[[(3R)-3-amino-2-oxopyrrolidin-1-yl]methyl]-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 126716535
3-amino-N-[[7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-2-yl]methyl]oxetane-3-carboxamide
CID 126697992
2-amino-5-[5-cyclopropyl-6-methyl-4-oxo-2-[(3S)-pyrrolidin-3-yl]-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile
CID 126697888
[(2R)-1-[[7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-2-yl]methylamino]-3-methoxy-1-oxopropan-2-yl]carbamic acid
CID 126698095
3-amino-7-(4-amino-2,5-difluorophenyl)-1-cyclopropyl-4-methoxy-8-methylquinolin-2-one
CID 123192474
7-(4-amino-3,5-difluorophenyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 126717286
(2S)-6-(4-amino-2,5-difluorophenyl)-2-methyl-4,11-dioxa-1,13-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5,7,9(16),10(14),12-pentaen-15-one
CID 126717558
5-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-methyl-2-(3-methylpyrrolidin-1-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 126698081
2-amino-5-(5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)benzonitrile
CID 162666616

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 126716562) is 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-[1,3]oxazolo[4,5-c]quinolin-4-one is Cc1c(-c2cc(F)c(N)cc2F)ccc2c3oc([C@H]4CNCCO4)nc3c(=O)n(C3CC3)c12.
What is the InChIKey of 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is DWAZTAMJDUVAKM-LJQANCHMSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c1-11-13(15-8-17(26)18(27)9-16(15)25)4-5-14-21(11)30(12-2-3-12)24(31)20-22(14)33-23(29-20)19-10-28-6-7-32-19/h4-5,8-9,12,19,28H,2-3,6-7,10,27H2,1H3/t19-/m1/s1.
What are the key properties of 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-[1,3]oxazolo[4,5-c]quinolin-4-one?
7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 452.46 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 126716562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).