4-ethoxy-6-quinolin-3-ylpteridin-2-amine

C17H14N6O — CID 68775878

IUPAC4-ethoxy-6-quinolin-3-ylpteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3cnc4ccccc4c3)nc12
InChIInChI=1S/C17H14N6O/c1-2-24-16-14-15(22-17(18)23-16)20-9-13(21-14)11-7-10-5-3-4-6-12(10)19-8-11/h3-9H,2H2,1H3,(H2,18,20,22,23)
InChIKeyMKIVZSJBUIDLLL-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.62
Rot. Bonds3

About 4-ethoxy-6-quinolin-3-ylpteridin-2-amine

4-ethoxy-6-quinolin-3-ylpteridin-2-amine (PubChem CID 68775878) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-ethoxy-6-quinolin-3-ylpteridin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-quinolin-3-ylpteridin-2-amine
PubChem CID68775878
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name4-ethoxy-6-quinolin-3-ylpteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3cnc4ccccc4c3)nc12
InChIInChI=1S/C17H14N6O/c1-2-24-16-14-15(22-17(18)23-16)20-9-13(21-14)11-7-10-5-3-4-6-12(10)19-8-11/h3-9H,2H2,1H3,(H2,18,20,22,23)
InChIKeyMKIVZSJBUIDLLL-UHFFFAOYSA-N
XLogP2.62
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-Phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine
CID 56682080
Pteridine, 2-amino-4-benzoxy-
CID 10332482
N-(5-Methoxypyrazin-2-yl)-N,2-dimethylquinazolin-4-amine
CID 42625913
3-(Phenylethynyl)-2-(2-(pyridin-2-yl)ethoxy)pyrido(3,2-b)pyrazine
CID 53494897
6-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]quinazolin-2-amine
CID 54670399
N,N-dimethyl-1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-amine
CID 58547883
2-[3-(3-Pyrimidin-5-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 58548022
2-[3-[3-(2-Methyl-3-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 58548143
N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyridin-2-amine
CID 66556032
N,N-dimethyl-5-(5-{[(3R)-3-piperidinylmethyl]oxy}pyrido[3,4-b]pyrazin-7-yl)-2-pyridinamine
CID 66556365
2-(5-methoxy-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 68204905
4-[6-[(1-Methyl-4-phenylimidazol-2-yl)methoxy]-2-pyridin-3-ylpyrimidin-4-yl]morpholine
CID 165414975

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-quinolin-3-ylpteridin-2-amine?
The IUPAC name of 4-ethoxy-6-quinolin-3-ylpteridin-2-amine (CID 68775878) is 4-ethoxy-6-quinolin-3-ylpteridin-2-amine.
What is the SMILES notation for 4-ethoxy-6-quinolin-3-ylpteridin-2-amine?
The canonical SMILES for 4-ethoxy-6-quinolin-3-ylpteridin-2-amine is CCOc1nc(N)nc2ncc(-c3cnc4ccccc4c3)nc12.
What is the InChIKey of 4-ethoxy-6-quinolin-3-ylpteridin-2-amine?
The InChIKey is MKIVZSJBUIDLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-2-24-16-14-15(22-17(18)23-16)20-9-13(21-14)11-7-10-5-3-4-6-12(10)19-8-11/h3-9H,2H2,1H3,(H2,18,20,22,23).
What are the key properties of 4-ethoxy-6-quinolin-3-ylpteridin-2-amine?
4-ethoxy-6-quinolin-3-ylpteridin-2-amine has a molecular weight of 318.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-quinolin-3-ylpteridin-2-amine is sourced from PubChem (CID 68775878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).