4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one

C18H18N6O2 — CID 156599543

IUPAC4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one
SMILESCCNc1nc(N2CC(=O)Nc3cc(OC)ccc32)c2ncccc2n1
InChIInChI=1S/C18H18N6O2/c1-3-19-18-22-12-5-4-8-20-16(12)17(23-18)24-10-15(25)21-13-9-11(26-2)6-7-14(13)24/h4-9H,3,10H2,1-2H3,(H,21,25)(H,19,22,23)
InChIKeyFLLCARSUVGNNTL-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.56
Rot. Bonds4

About 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one

4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one (PubChem CID 156599543) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one
PubChem CID156599543
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one
SMILESCCNc1nc(N2CC(=O)Nc3cc(OC)ccc32)c2ncccc2n1
InChIInChI=1S/C18H18N6O2/c1-3-19-18-22-12-5-4-8-20-16(12)17(23-18)24-10-15(25)21-13-9-11(26-2)6-7-14(13)24/h4-9H,3,10H2,1-2H3,(H,21,25)(H,19,22,23)
InChIKeyFLLCARSUVGNNTL-UHFFFAOYSA-N
XLogP2.56
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one (CID 156599543) is 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one is CCNc1nc(N2CC(=O)Nc3cc(OC)ccc32)c2ncccc2n1.
What is the InChIKey of 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one?
The InChIKey is FLLCARSUVGNNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-3-19-18-22-12-5-4-8-20-16(12)17(23-18)24-10-15(25)21-13-9-11(26-2)6-7-14(13)24/h4-9H,3,10H2,1-2H3,(H,21,25)(H,19,22,23).
What are the key properties of 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one?
4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one has a molecular weight of 350.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 156599543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).