N-(3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-yl)-1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide;ethane

C27H32N4O3 — CID 144714929

IUPACN-(3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-yl)-1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide;ethane
SMILESCC.CC1(C)COc2ccc(NC(=O)c3ccc4cc5n(c4c3)C3(CCC3)CNC5=O)cc2N1
InChIInChI=1S/C25H26N4O3.C2H6/c1-24(2)14-32-21-7-6-17(12-18(21)28-24)27-22(30)16-5-4-15-10-20-23(31)26-13-25(8-3-9-25)29(20)19(15)11-16;1-2/h4-7,10-12,28H,3,8-9,13-14H2,1-2H3,(H,26,31)(H,27,30);1-2H3
InChIKeyUHYVIWHYBDFSCO-UHFFFAOYSA-N
MW460.58 g/mol
LogP5.13
Rot. Bonds2

About N-(3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-yl)-1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide;ethane

N-(3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-yl)-1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide;ethane (PubChem CID 144714929) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-(3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-yl)-1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide;ethane.

Molecular Properties

Compound NameN-(3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-yl)-1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide;ethane
PubChem CID144714929
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC NameN-(3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-yl)-1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide;ethane
SMILESCC.CC1(C)COc2ccc(NC(=O)c3ccc4cc5n(c4c3)C3(CCC3)CNC5=O)cc2N1
InChIInChI=1S/C25H26N4O3.C2H6/c1-24(2)14-32-21-7-6-17(12-18(21)28-24)27-22(30)16-5-4-15-10-20-23(31)26-13-25(8-3-9-25)29(20)19(15)11-16;1-2/h4-7,10-12,28H,3,8-9,13-14H2,1-2H3,(H,26,31)(H,27,30);1-2H3
InChIKeyUHYVIWHYBDFSCO-UHFFFAOYSA-N
XLogP5.13
TPSA84.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-yl)-1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide;ethane with MolForge

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Related Compounds

1-oxo-N-[(3R,4S)-4-(prop-2-enoylamino)oxolan-3-yl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide
CID 118597384
7-[2-(3,3-dimethyl-4-prop-2-enoyl-2H-1,4-benzoxazin-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one
CID 160712668
N-[4-[2-oxo-2-(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)ethyl]-2-piperidin-1-yl-1,3-thiazol-5-yl]prop-2-enamide
CID 147824626
3-(anilinomethyl)-N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydro-1,4-benzoxazine-6-carboxamide
CID 134807111
9-oxo-N-[2-(prop-2-enoylamino)cyclohexyl]spiro[7,8-dihydropyrido[1,2-a]indole-6,1'-cyclobutane]-3-carboxamide
CID 118603760
N-(4-fluorophenyl)-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepine-7-carboxamide
CID 100603181
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,3-benzodioxole-5-carboxamide
CID 9145088
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145051
N-(3-methoxyphenyl)-3-methyl-3-(pyridin-3-yloxymethyl)-2,4-dihydro-1,4-benzoxazine-6-carboxamide
CID 134809220
4-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepine-7-carbonyl)amino]benzoic acid
CID 18989988
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
N-(4-cyanophenyl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 15604994

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-yl)-1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide;ethane?
The IUPAC name of N-(3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-yl)-1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide;ethane (CID 144714929) is N-(3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-yl)-1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide;ethane.
What is the SMILES notation for N-(3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-yl)-1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide;ethane?
The canonical SMILES for N-(3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-yl)-1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide;ethane is CC.CC1(C)COc2ccc(NC(=O)c3ccc4cc5n(c4c3)C3(CCC3)CNC5=O)cc2N1.
What is the InChIKey of N-(3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-yl)-1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide;ethane?
The InChIKey is UHYVIWHYBDFSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3.C2H6/c1-24(2)14-32-21-7-6-17(12-18(21)28-24)27-22(30)16-5-4-15-10-20-23(31)26-13-25(8-3-9-25)29(20)19(15)11-16;1-2/h4-7,10-12,28H,3,8-9,13-14H2,1-2H3,(H,26,31)(H,27,30);1-2H3.
What are the key properties of N-(3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-yl)-1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide;ethane?
N-(3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-yl)-1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide;ethane has a molecular weight of 460.58 g/mol, XLogP of 5.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-yl)-1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide;ethane is sourced from PubChem (CID 144714929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).