4-anilino-5-(furan-2-yl)-6,7,8,9-tetrahydro-[1,3]oxazino[6,5-b]quinolin-2-one

C21H17N3O3 — CID 10546374

IUPAC4-anilino-5-(furan-2-yl)-6,7,8,9-tetrahydro-[1,3]oxazino[6,5-b]quinolin-2-one
SMILESO=c1nc(Nc2ccccc2)c2c(-c3ccco3)c3c(nc2o1)CCCC3
InChIInChI=1S/C21H17N3O3/c25-21-24-19(22-13-7-2-1-3-8-13)18-17(16-11-6-12-26-16)14-9-4-5-10-15(14)23-20(18)27-21/h1-3,6-8,11-12H,4-5,9-10H2,(H,22,24,25)
InChIKeyMYDRMSAWQYAQFW-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.47
Rot. Bonds3

About 4-anilino-5-(furan-2-yl)-6,7,8,9-tetrahydro-[1,3]oxazino[6,5-b]quinolin-2-one

4-anilino-5-(furan-2-yl)-6,7,8,9-tetrahydro-[1,3]oxazino[6,5-b]quinolin-2-one (PubChem CID 10546374) has the molecular formula C21H17N3O3 and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-anilino-5-(furan-2-yl)-6,7,8,9-tetrahydro-[1,3]oxazino[6,5-b]quinolin-2-one.

Molecular Properties

Compound Name4-anilino-5-(furan-2-yl)-6,7,8,9-tetrahydro-[1,3]oxazino[6,5-b]quinolin-2-one
PubChem CID10546374
Molecular FormulaC21H17N3O3
Molecular Weight359.38 g/mol
Exact Mass359.13
IUPAC Name4-anilino-5-(furan-2-yl)-6,7,8,9-tetrahydro-[1,3]oxazino[6,5-b]quinolin-2-one
SMILESO=c1nc(Nc2ccccc2)c2c(-c3ccco3)c3c(nc2o1)CCCC3
InChIInChI=1S/C21H17N3O3/c25-21-24-19(22-13-7-2-1-3-8-13)18-17(16-11-6-12-26-16)14-9-4-5-10-15(14)23-20(18)27-21/h1-3,6-8,11-12H,4-5,9-10H2,(H,22,24,25)
InChIKeyMYDRMSAWQYAQFW-UHFFFAOYSA-N
XLogP4.47
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-anilino-5-(furan-2-yl)-6,7,8,9-tetrahydro-[1,3]oxazino[6,5-b]quinolin-2-one with MolForge

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Related Compounds

4-anilino-5-(furan-2-yl)-6,7,8,9-tetrahydro-[1,3]oxazino[6,5-b]quinoline-2-thione
CID 10523512
2-[[9-(furan-2-yl)-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-b]quinolin-2-yl]sulfanyl]acetate
CID 7378875
2-chloro-4-(furan-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 82089655
4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 134116460
2-(furan-2-yl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975234
butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 4521595
2-(furan-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62203023
4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22695657
2-amino-4-(furan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 754321
2-[4-[[2-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide
CID 90338497
6-amino-N-(2-ethylphenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
CID 1314962
6-anilino-7,8,9,10-tetrahydrochromeno[4,3-c]isoquinolin-11-one
CID 10759718

Frequently Asked Questions

What is the IUPAC name of 4-anilino-5-(furan-2-yl)-6,7,8,9-tetrahydro-[1,3]oxazino[6,5-b]quinolin-2-one?
The IUPAC name of 4-anilino-5-(furan-2-yl)-6,7,8,9-tetrahydro-[1,3]oxazino[6,5-b]quinolin-2-one (CID 10546374) is 4-anilino-5-(furan-2-yl)-6,7,8,9-tetrahydro-[1,3]oxazino[6,5-b]quinolin-2-one.
What is the SMILES notation for 4-anilino-5-(furan-2-yl)-6,7,8,9-tetrahydro-[1,3]oxazino[6,5-b]quinolin-2-one?
The canonical SMILES for 4-anilino-5-(furan-2-yl)-6,7,8,9-tetrahydro-[1,3]oxazino[6,5-b]quinolin-2-one is O=c1nc(Nc2ccccc2)c2c(-c3ccco3)c3c(nc2o1)CCCC3.
What is the InChIKey of 4-anilino-5-(furan-2-yl)-6,7,8,9-tetrahydro-[1,3]oxazino[6,5-b]quinolin-2-one?
The InChIKey is MYDRMSAWQYAQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-21-24-19(22-13-7-2-1-3-8-13)18-17(16-11-6-12-26-16)14-9-4-5-10-15(14)23-20(18)27-21/h1-3,6-8,11-12H,4-5,9-10H2,(H,22,24,25).
What are the key properties of 4-anilino-5-(furan-2-yl)-6,7,8,9-tetrahydro-[1,3]oxazino[6,5-b]quinolin-2-one?
4-anilino-5-(furan-2-yl)-6,7,8,9-tetrahydro-[1,3]oxazino[6,5-b]quinolin-2-one has a molecular weight of 359.38 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-5-(furan-2-yl)-6,7,8,9-tetrahydro-[1,3]oxazino[6,5-b]quinolin-2-one is sourced from PubChem (CID 10546374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).