2-[(1R)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-methyl-3-phenylquinolizin-4-one

C23H21N7O — CID 118630908

IUPAC2-[(1R)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-methyl-3-phenylquinolizin-4-one
SMILESCc1cccc2cc([C@@H](C)Nc3nc(N)nc4nc[nH]c34)c(-c3ccccc3)c(=O)n12
InChIInChI=1S/C23H21N7O/c1-13-7-6-10-16-11-17(18(22(31)30(13)16)15-8-4-3-5-9-15)14(2)27-21-19-20(26-12-25-19)28-23(24)29-21/h3-12,14H,1-2H3,(H4,24,25,26,27,28,29)/t14-/m1/s1
InChIKeyVWEBUHOEVWNCKU-CQSZACIVSA-N
MW411.47 g/mol
LogP3.70
Rot. Bonds4

About 2-[(1R)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-methyl-3-phenylquinolizin-4-one

2-[(1R)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-methyl-3-phenylquinolizin-4-one (PubChem CID 118630908) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-[(1R)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-methyl-3-phenylquinolizin-4-one.

Molecular Properties

Compound Name2-[(1R)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-methyl-3-phenylquinolizin-4-one
PubChem CID118630908
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name2-[(1R)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-methyl-3-phenylquinolizin-4-one
SMILESCc1cccc2cc([C@@H](C)Nc3nc(N)nc4nc[nH]c34)c(-c3ccccc3)c(=O)n12
InChIInChI=1S/C23H21N7O/c1-13-7-6-10-16-11-17(18(22(31)30(13)16)15-8-4-3-5-9-15)14(2)27-21-19-20(26-12-25-19)28-23(24)29-21/h3-12,14H,1-2H3,(H4,24,25,26,27,28,29)/t14-/m1/s1
InChIKeyVWEBUHOEVWNCKU-CQSZACIVSA-N
XLogP3.70
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1S)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-methyl-3-phenylquinolizin-4-one
CID 118630884
2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-5-methyl-3-phenylquinazolin-4-one
CID 11611303
2-[(1R)-1-[(6-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-3-(3-fluorophenyl)-6-methylquinolizin-4-one;2-[(1S)-1-[(6-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-3-(3-fluorophenyl)-6-methylquinolizin-4-one
CID 158221922
6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine
CID 115669349
6-N-[1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purine-2,6-diamine
CID 58368520
7-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-(3-chloro-5-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;2,2,2-trifluoroacetic acid
CID 66855796
6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623197
2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(3,5-difluorophenyl)-6-ethylpyrido[1,2-a]pyrimidin-4-one;2,2,2-trifluoroacetic acid
CID 66864773
3-(1-aminoethyl)-8-methyl-2-phenylisoquinolin-1-one;3-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-8-methyl-2-phenylisoquinolin-1-one;6-chloro-7H-purin-2-amine;methane
CID 158980434
6-(3-chlorophenyl)-3-methyl-7-[1-(7H-purin-6-ylamino)ethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 50996436
2-[(1R)-1-[(6-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-7-fluoro-6-methyl-3-phenylquinolizin-4-one;2-[(1S)-1-[(6-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-7-fluoro-6-methyl-3-phenylquinolizin-4-one
CID 158675276
2-amino-4-methyl-6-[1-(3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethylamino]pyrimidine-5-carbonitrile
CID 121314395

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-methyl-3-phenylquinolizin-4-one?
The IUPAC name of 2-[(1R)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-methyl-3-phenylquinolizin-4-one (CID 118630908) is 2-[(1R)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-methyl-3-phenylquinolizin-4-one.
What is the SMILES notation for 2-[(1R)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-methyl-3-phenylquinolizin-4-one?
The canonical SMILES for 2-[(1R)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-methyl-3-phenylquinolizin-4-one is Cc1cccc2cc([C@@H](C)Nc3nc(N)nc4nc[nH]c34)c(-c3ccccc3)c(=O)n12.
What is the InChIKey of 2-[(1R)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-methyl-3-phenylquinolizin-4-one?
The InChIKey is VWEBUHOEVWNCKU-CQSZACIVSA-N. The full InChI is InChI=1S/C23H21N7O/c1-13-7-6-10-16-11-17(18(22(31)30(13)16)15-8-4-3-5-9-15)14(2)27-21-19-20(26-12-25-19)28-23(24)29-21/h3-12,14H,1-2H3,(H4,24,25,26,27,28,29)/t14-/m1/s1.
What are the key properties of 2-[(1R)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-methyl-3-phenylquinolizin-4-one?
2-[(1R)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-methyl-3-phenylquinolizin-4-one has a molecular weight of 411.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-methyl-3-phenylquinolizin-4-one is sourced from PubChem (CID 118630908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).