7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one

C16H22N2O3 — CID 134112398

IUPAC7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one
SMILESCCCCOc1cc2nc(C)n(CC)c(=O)c2cc1OC
InChIInChI=1S/C16H22N2O3/c1-5-7-8-21-15-10-13-12(9-14(15)20-4)16(19)18(6-2)11(3)17-13/h9-10H,5-8H2,1-4H3
InChIKeySXSWALCOORQTTA-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.91
Rot. Bonds6

About 7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one

7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one (PubChem CID 134112398) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one.

Molecular Properties

Compound Name7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one
PubChem CID134112398
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one
SMILESCCCCOc1cc2nc(C)n(CC)c(=O)c2cc1OC
InChIInChI=1S/C16H22N2O3/c1-5-7-8-21-15-10-13-12(9-14(15)20-4)16(19)18(6-2)11(3)17-13/h9-10H,5-8H2,1-4H3
InChIKeySXSWALCOORQTTA-UHFFFAOYSA-N
XLogP2.91
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanylacetic acid
CID 7174419
2,7-dimethoxy-3,6,10,11-tetrapentoxytriphenylene
CID 10054806
3-butyl-2-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-one
CID 45029222
7-butoxy-4-chloro-2-iodo-6-methoxyquinazoline
CID 130473194
2,3,6,7-tetrakis-decoxy-11,12-dimethoxybenzo[b]triphenylene
CID 122383547
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 71692285
4-bromo-6-butoxy-7-methoxyquinazoline
CID 177191947
3-butyl-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one
CID 78859070
6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one
CID 808669
5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one
CID 10405159
7-butoxy-6-methoxyquinoline
CID 161197918
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 91638328

Frequently Asked Questions

What is the IUPAC name of 7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one?
The IUPAC name of 7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one (CID 134112398) is 7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one.
What is the SMILES notation for 7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one?
The canonical SMILES for 7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one is CCCCOc1cc2nc(C)n(CC)c(=O)c2cc1OC.
What is the InChIKey of 7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one?
The InChIKey is SXSWALCOORQTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-5-7-8-21-15-10-13-12(9-14(15)20-4)16(19)18(6-2)11(3)17-13/h9-10H,5-8H2,1-4H3.
What are the key properties of 7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one?
7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one has a molecular weight of 290.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one is sourced from PubChem (CID 134112398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).