7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-3-(1H-imidazol-2-yl)-2H-pyrimido[5,4-e][1,3]oxazin-4-one

C20H21N7O2 — CID 155201608

IUPAC7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-3-(1H-imidazol-2-yl)-2H-pyrimido[5,4-e][1,3]oxazin-4-one
SMILESCC1(C)CNCc2cc(Nc3ncc4c(n3)OCN(c3ncc[nH]3)C4=O)ccc21
InChIInChI=1S/C20H21N7O2/c1-20(2)10-21-8-12-7-13(3-4-15(12)20)25-18-24-9-14-16(26-18)29-11-27(17(14)28)19-22-5-6-23-19/h3-7,9,21H,8,10-11H2,1-2H3,(H,22,23)(H,24,25,26)
InChIKeyGYOCOMWOFGXMFZ-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.32
Rot. Bonds3

About 7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-3-(1H-imidazol-2-yl)-2H-pyrimido[5,4-e][1,3]oxazin-4-one

7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-3-(1H-imidazol-2-yl)-2H-pyrimido[5,4-e][1,3]oxazin-4-one (PubChem CID 155201608) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-3-(1H-imidazol-2-yl)-2H-pyrimido[5,4-e][1,3]oxazin-4-one.

Molecular Properties

Compound Name7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-3-(1H-imidazol-2-yl)-2H-pyrimido[5,4-e][1,3]oxazin-4-one
PubChem CID155201608
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-3-(1H-imidazol-2-yl)-2H-pyrimido[5,4-e][1,3]oxazin-4-one
SMILESCC1(C)CNCc2cc(Nc3ncc4c(n3)OCN(c3ncc[nH]3)C4=O)ccc21
InChIInChI=1S/C20H21N7O2/c1-20(2)10-21-8-12-7-13(3-4-15(12)20)25-18-24-9-14-16(26-18)29-11-27(17(14)28)19-22-5-6-23-19/h3-7,9,21H,8,10-11H2,1-2H3,(H,22,23)(H,24,25,26)
InChIKeyGYOCOMWOFGXMFZ-UHFFFAOYSA-N
XLogP2.32
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-3-(1H-imidazol-2-yl)-2H-pyrimido[5,4-e][1,3]oxazin-4-one with MolForge

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Related Compounds

7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-3-methyl-2H-pyrimido[5,4-e][1,3]oxazin-4-one
CID 138530967
3-(2,6-dichlorophenyl)-7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one
CID 138521445
3-[2-chloro-6-(1-fluoro-2-methylpropan-2-yl)phenyl]-7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one
CID 155201625
3-(2-chloro-6-isocyanophenyl)-7-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-2H-pyrimido[5,4-e][1,3]oxazin-4-one
CID 164784601
3-(2,6-dichlorophenyl)-7-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-2H-pyrimido[5,4-e][1,3]oxazin-4-one
CID 155205481
3-(2,6-dichlorophenyl)-7-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]-2H-pyrimido[5,4-e][1,3]oxazin-4-one
CID 138531221
7-[(5-acetyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]-3-(2,6-dichlorophenyl)-2H-pyrimido[5,4-e][1,3]oxazin-4-one
CID 138530951
3-(2,6-dichlorophenyl)-7-[(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-2H-pyrimido[5,4-e][1,3]oxazin-4-one
CID 155205488
1-[4-[6-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-3-oxo-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]cyclobutane-1-carbonitrile
CID 167017966
6-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-2-ethyl-1-[6-[1-(fluoromethyl)cyclopropyl]-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one
CID 155709256
3-(2-chloro-6-fluorophenyl)-7-[(5-fluoro-4,4-dimethyl-2-propan-2-yl-1,3-dihydroisoquinolin-7-yl)amino]-2H-pyrimido[5,4-e][1,3]oxazin-4-one
CID 138531529
4-[[2-(2-cyanopropan-2-yl)-4-pyridinyl]amino]-2-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 155709595

Frequently Asked Questions

What is the IUPAC name of 7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-3-(1H-imidazol-2-yl)-2H-pyrimido[5,4-e][1,3]oxazin-4-one?
The IUPAC name of 7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-3-(1H-imidazol-2-yl)-2H-pyrimido[5,4-e][1,3]oxazin-4-one (CID 155201608) is 7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-3-(1H-imidazol-2-yl)-2H-pyrimido[5,4-e][1,3]oxazin-4-one.
What is the SMILES notation for 7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-3-(1H-imidazol-2-yl)-2H-pyrimido[5,4-e][1,3]oxazin-4-one?
The canonical SMILES for 7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-3-(1H-imidazol-2-yl)-2H-pyrimido[5,4-e][1,3]oxazin-4-one is CC1(C)CNCc2cc(Nc3ncc4c(n3)OCN(c3ncc[nH]3)C4=O)ccc21.
What is the InChIKey of 7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-3-(1H-imidazol-2-yl)-2H-pyrimido[5,4-e][1,3]oxazin-4-one?
The InChIKey is GYOCOMWOFGXMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-20(2)10-21-8-12-7-13(3-4-15(12)20)25-18-24-9-14-16(26-18)29-11-27(17(14)28)19-22-5-6-23-19/h3-7,9,21H,8,10-11H2,1-2H3,(H,22,23)(H,24,25,26).
What are the key properties of 7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-3-(1H-imidazol-2-yl)-2H-pyrimido[5,4-e][1,3]oxazin-4-one?
7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-3-(1H-imidazol-2-yl)-2H-pyrimido[5,4-e][1,3]oxazin-4-one has a molecular weight of 391.44 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-3-(1H-imidazol-2-yl)-2H-pyrimido[5,4-e][1,3]oxazin-4-one is sourced from PubChem (CID 155201608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).