2-(ethylamino)-5,6,7-trimethoxy-3H-quinazolin-4-one

C13H17N3O4 — CID 136743156

IUPAC2-(ethylamino)-5,6,7-trimethoxy-3H-quinazolin-4-one
SMILESCCNc1nc2cc(OC)c(OC)c(OC)c2c(=O)[nH]1
InChIInChI=1S/C13H17N3O4/c1-5-14-13-15-7-6-8(18-2)10(19-3)11(20-4)9(7)12(17)16-13/h6H,5H2,1-4H3,(H2,14,15,16,17)
InChIKeyIJXSWSFFEKYWQZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.38
Rot. Bonds5

About 2-(ethylamino)-5,6,7-trimethoxy-3H-quinazolin-4-one

2-(ethylamino)-5,6,7-trimethoxy-3H-quinazolin-4-one (PubChem CID 136743156) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(ethylamino)-5,6,7-trimethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(ethylamino)-5,6,7-trimethoxy-3H-quinazolin-4-one
PubChem CID136743156
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-(ethylamino)-5,6,7-trimethoxy-3H-quinazolin-4-one
SMILESCCNc1nc2cc(OC)c(OC)c(OC)c2c(=O)[nH]1
InChIInChI=1S/C13H17N3O4/c1-5-14-13-15-7-6-8(18-2)10(19-3)11(20-4)9(7)12(17)16-13/h6H,5H2,1-4H3,(H2,14,15,16,17)
InChIKeyIJXSWSFFEKYWQZ-UHFFFAOYSA-N
XLogP1.38
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136951517
2-(ethylamino)-6-methoxy-3H-quinazolin-4-one
CID 137287759
2-[2-(diethylamino)ethylamino]-6,7-dimethoxy-3H-quinazolin-4-one
CID 137303948
6,7,8-trimethoxy-1H-pyrimido[4,5-b]quinoline-2,4-dione
CID 133083948
4-chloro-2-ethyl-5,6,7-trimethoxy-3-methylquinoline
CID 63561861
2-(ethylamino)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 103331621
4-chloro-2-ethyl-5,6,7-trimethoxyquinoline
CID 43668765
2-N,3-N-diethyl-6,7-dimethoxyquinoxaline-2,3-diamine
CID 56953586
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one
CID 137264237
5,6,7-trimethoxy-3-methyl-N-propylquinolin-2-amine
CID 63231688
N-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82564535
N-ethyl-6-phosphanyl-1H-benzimidazol-2-amine
CID 162722217

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5,6,7-trimethoxy-3H-quinazolin-4-one?
The IUPAC name of 2-(ethylamino)-5,6,7-trimethoxy-3H-quinazolin-4-one (CID 136743156) is 2-(ethylamino)-5,6,7-trimethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-(ethylamino)-5,6,7-trimethoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-(ethylamino)-5,6,7-trimethoxy-3H-quinazolin-4-one is CCNc1nc2cc(OC)c(OC)c(OC)c2c(=O)[nH]1.
What is the InChIKey of 2-(ethylamino)-5,6,7-trimethoxy-3H-quinazolin-4-one?
The InChIKey is IJXSWSFFEKYWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-5-14-13-15-7-6-8(18-2)10(19-3)11(20-4)9(7)12(17)16-13/h6H,5H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-(ethylamino)-5,6,7-trimethoxy-3H-quinazolin-4-one?
2-(ethylamino)-5,6,7-trimethoxy-3H-quinazolin-4-one has a molecular weight of 279.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5,6,7-trimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 136743156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).