N-[5-(7-ethyl-11b-methyl-6-oxo-2,4-dihydro-1H-[1,3]oxazino[3,4-c]quinazolin-10-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C28H27F3N4O3 — CID 137361833

IUPACN-[5-(7-ethyl-11b-methyl-6-oxo-2,4-dihydro-1H-[1,3]oxazino[3,4-c]quinazolin-10-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCCN1C(=O)N2COCCC2(C)c2cc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)cnc3C)ccc21
InChIInChI=1S/C28H27F3N4O3/c1-4-34-24-9-8-18(13-23(24)27(3)10-11-38-16-35(27)26(34)37)22-14-21(15-32-17(22)2)33-25(36)19-6-5-7-20(12-19)28(29,30)31/h5-9,12-15H,4,10-11,16H2,1-3H3,(H,33,36)
InChIKeyQCJNZLCEZRIIDB-UHFFFAOYSA-N
MW524.54 g/mol
LogP6.18
Rot. Bonds4

About N-[5-(7-ethyl-11b-methyl-6-oxo-2,4-dihydro-1H-[1,3]oxazino[3,4-c]quinazolin-10-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[5-(7-ethyl-11b-methyl-6-oxo-2,4-dihydro-1H-[1,3]oxazino[3,4-c]quinazolin-10-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 137361833) has the molecular formula C28H27F3N4O3 and a molecular weight of 524.54 g/mol. Its IUPAC name is N-[5-(7-ethyl-11b-methyl-6-oxo-2,4-dihydro-1H-[1,3]oxazino[3,4-c]quinazolin-10-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(7-ethyl-11b-methyl-6-oxo-2,4-dihydro-1H-[1,3]oxazino[3,4-c]quinazolin-10-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID137361833
Molecular FormulaC28H27F3N4O3
Molecular Weight524.54 g/mol
Exact Mass524.20
IUPAC NameN-[5-(7-ethyl-11b-methyl-6-oxo-2,4-dihydro-1H-[1,3]oxazino[3,4-c]quinazolin-10-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCCN1C(=O)N2COCCC2(C)c2cc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)cnc3C)ccc21
InChIInChI=1S/C28H27F3N4O3/c1-4-34-24-9-8-18(13-23(24)27(3)10-11-38-16-35(27)26(34)37)22-14-21(15-32-17(22)2)33-25(36)19-6-5-7-20(12-19)28(29,30)31/h5-9,12-15H,4,10-11,16H2,1-3H3,(H,33,36)
InChIKeyQCJNZLCEZRIIDB-UHFFFAOYSA-N
XLogP6.18
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.54
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(7-ethyl-11b-methyl-6-oxo-2,4-dihydro-1H-[1,3]oxazino[3,4-c]quinazolin-10-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(7-ethyl-11b-methyl-6-oxo-2,4-dihydro-1H-[1,3]oxazino[3,4-c]quinazolin-10-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(7-ethyl-11b-methyl-6-oxo-2,4-dihydro-1H-[1,3]oxazino[3,4-c]quinazolin-10-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 137361833) is N-[5-(7-ethyl-11b-methyl-6-oxo-2,4-dihydro-1H-[1,3]oxazino[3,4-c]quinazolin-10-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(7-ethyl-11b-methyl-6-oxo-2,4-dihydro-1H-[1,3]oxazino[3,4-c]quinazolin-10-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(7-ethyl-11b-methyl-6-oxo-2,4-dihydro-1H-[1,3]oxazino[3,4-c]quinazolin-10-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is CCN1C(=O)N2COCCC2(C)c2cc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)cnc3C)ccc21.
What is the InChIKey of N-[5-(7-ethyl-11b-methyl-6-oxo-2,4-dihydro-1H-[1,3]oxazino[3,4-c]quinazolin-10-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is QCJNZLCEZRIIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O3/c1-4-34-24-9-8-18(13-23(24)27(3)10-11-38-16-35(27)26(34)37)22-14-21(15-32-17(22)2)33-25(36)19-6-5-7-20(12-19)28(29,30)31/h5-9,12-15H,4,10-11,16H2,1-3H3,(H,33,36).
What are the key properties of N-[5-(7-ethyl-11b-methyl-6-oxo-2,4-dihydro-1H-[1,3]oxazino[3,4-c]quinazolin-10-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[5-(7-ethyl-11b-methyl-6-oxo-2,4-dihydro-1H-[1,3]oxazino[3,4-c]quinazolin-10-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 524.54 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-ethyl-11b-methyl-6-oxo-2,4-dihydro-1H-[1,3]oxazino[3,4-c]quinazolin-10-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 137361833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).