2,3-dimethyl-1,4-dihydroquinoline;1-(9-ethylpurin-6-yl)ethanone

C20H23N5O — CID 91600802

IUPAC2,3-dimethyl-1,4-dihydroquinoline;1-(9-ethylpurin-6-yl)ethanone
SMILESCC1=C(C)Nc2ccccc2C1.CCn1cnc2c(C(C)=O)ncnc21
InChIInChI=1S/C11H13N.C9H10N4O/c1-8-7-10-5-3-4-6-11(10)12-9(8)2;1-3-13-5-12-8-7(6(2)14)10-4-11-9(8)13/h3-6,12H,7H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyPBOXGPSWRLLFQU-UHFFFAOYSA-N
MW349.44 g/mol
LogP4.00
Rot. Bonds2

About 2,3-dimethyl-1,4-dihydroquinoline;1-(9-ethylpurin-6-yl)ethanone

2,3-dimethyl-1,4-dihydroquinoline;1-(9-ethylpurin-6-yl)ethanone (PubChem CID 91600802) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-dihydroquinoline;1-(9-ethylpurin-6-yl)ethanone.

Molecular Properties

Compound Name2,3-dimethyl-1,4-dihydroquinoline;1-(9-ethylpurin-6-yl)ethanone
PubChem CID91600802
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2,3-dimethyl-1,4-dihydroquinoline;1-(9-ethylpurin-6-yl)ethanone
SMILESCC1=C(C)Nc2ccccc2C1.CCn1cnc2c(C(C)=O)ncnc21
InChIInChI=1S/C11H13N.C9H10N4O/c1-8-7-10-5-3-4-6-11(10)12-9(8)2;1-3-13-5-12-8-7(6(2)14)10-4-11-9(8)13/h3-6,12H,7H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyPBOXGPSWRLLFQU-UHFFFAOYSA-N
XLogP4.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

butane;2,3-dimethyl-1,4-dihydroquinoline
CID 91462835
2,3-dimethyl-1,4-dihydronaphthalene;7-ethyl-6-prop-1-en-2-ylpurine
CID 91500206
1-(9-ethylpurin-6-yl)propan-2-one
CID 24973615
2-(9-ethylpurin-6-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 86117591
9-ethyl-N-methylpurin-6-amine
CID 23389288
9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine
CID 163348579
(Z)-4-(9-benzylpurin-6-yl)-4-hydroxy-2-oxobut-3-enoic acid
CID 15956342
9-(3-methylbut-2-enyl)purine-6-carboxamide
CID 10105292
2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 163345167
N-benzyl-9-ethyl-N-methylpurin-6-amine
CID 163348599
6-[(2R)-3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl]-9-ethylpurine
CID 124886979
acetic acid;1,3-dihydroindol-2-one
CID 158067424

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4-dihydroquinoline;1-(9-ethylpurin-6-yl)ethanone?
The IUPAC name of 2,3-dimethyl-1,4-dihydroquinoline;1-(9-ethylpurin-6-yl)ethanone (CID 91600802) is 2,3-dimethyl-1,4-dihydroquinoline;1-(9-ethylpurin-6-yl)ethanone.
What is the SMILES notation for 2,3-dimethyl-1,4-dihydroquinoline;1-(9-ethylpurin-6-yl)ethanone?
The canonical SMILES for 2,3-dimethyl-1,4-dihydroquinoline;1-(9-ethylpurin-6-yl)ethanone is CC1=C(C)Nc2ccccc2C1.CCn1cnc2c(C(C)=O)ncnc21.
What is the InChIKey of 2,3-dimethyl-1,4-dihydroquinoline;1-(9-ethylpurin-6-yl)ethanone?
The InChIKey is PBOXGPSWRLLFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C9H10N4O/c1-8-7-10-5-3-4-6-11(10)12-9(8)2;1-3-13-5-12-8-7(6(2)14)10-4-11-9(8)13/h3-6,12H,7H2,1-2H3;4-5H,3H2,1-2H3.
What are the key properties of 2,3-dimethyl-1,4-dihydroquinoline;1-(9-ethylpurin-6-yl)ethanone?
2,3-dimethyl-1,4-dihydroquinoline;1-(9-ethylpurin-6-yl)ethanone has a molecular weight of 349.44 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4-dihydroquinoline;1-(9-ethylpurin-6-yl)ethanone is sourced from PubChem (CID 91600802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).