2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione

C18H17N3O5 — CID 69325622

IUPAC2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione
SMILESCOCCOc1cc2ncnc(C3=C(N)C(=O)C=CC3=O)c2cc1OC
InChIInChI=1S/C18H17N3O5/c1-24-5-6-26-15-8-11-10(7-14(15)25-2)18(21-9-20-11)16-12(22)3-4-13(23)17(16)19/h3-4,7-9H,5-6,19H2,1-2H3
InChIKeyCUSNPNZHXBFDEC-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.04
Rot. Bonds6

About 2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione

2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione (PubChem CID 69325622) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione
PubChem CID69325622
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione
SMILESCOCCOc1cc2ncnc(C3=C(N)C(=O)C=CC3=O)c2cc1OC
InChIInChI=1S/C18H17N3O5/c1-24-5-6-26-15-8-11-10(7-14(15)25-2)18(21-9-20-11)16-12(22)3-4-13(23)17(16)19/h3-4,7-9H,5-6,19H2,1-2H3
InChIKeyCUSNPNZHXBFDEC-UHFFFAOYSA-N
XLogP1.04
TPSA113.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine
CID 149497994
2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 170159674
2-bromo-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione
CID 11704732
4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine
CID 171420006
6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one
CID 135742285
4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline
CID 67759960
3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid
CID 163197326
6,7-dimethoxy-4-methylquinazoline
CID 4319422
6-methoxy-7-(2-methoxyethoxy)-N-(2,3,5-trimethoxyphenyl)quinazolin-4-amine
CID 11517241
2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-5-pyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione
CID 11553614
2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 170160385
6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one;ethane
CID 143274794

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione (CID 69325622) is 2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione is COCCOc1cc2ncnc(C3=C(N)C(=O)C=CC3=O)c2cc1OC.
What is the InChIKey of 2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione?
The InChIKey is CUSNPNZHXBFDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-24-5-6-26-15-8-11-10(7-14(15)25-2)18(21-9-20-11)16-12(22)3-4-13(23)17(16)19/h3-4,7-9H,5-6,19H2,1-2H3.
What are the key properties of 2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione?
2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione has a molecular weight of 355.35 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 69325622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).