3-(2-ethoxyphenyl)-2-[[ethyl-[2-(methylamino)ethyl]amino]methyl]quinazolin-4-one

C22H28N4O2 — CID 143618066

IUPAC3-(2-ethoxyphenyl)-2-[[ethyl-[2-(methylamino)ethyl]amino]methyl]quinazolin-4-one
SMILESCCOc1ccccc1-n1c(CN(CC)CCNC)nc2ccccc2c1=O
InChIInChI=1S/C22H28N4O2/c1-4-25(15-14-23-3)16-21-24-18-11-7-6-10-17(18)22(27)26(21)19-12-8-9-13-20(19)28-5-2/h6-13,23H,4-5,14-16H2,1-3H3
InChIKeyWTWQMBZLASSOES-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.83
Rot. Bonds9

About 3-(2-ethoxyphenyl)-2-[[ethyl-[2-(methylamino)ethyl]amino]methyl]quinazolin-4-one

3-(2-ethoxyphenyl)-2-[[ethyl-[2-(methylamino)ethyl]amino]methyl]quinazolin-4-one (PubChem CID 143618066) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-2-[[ethyl-[2-(methylamino)ethyl]amino]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-2-[[ethyl-[2-(methylamino)ethyl]amino]methyl]quinazolin-4-one
PubChem CID143618066
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-(2-ethoxyphenyl)-2-[[ethyl-[2-(methylamino)ethyl]amino]methyl]quinazolin-4-one
SMILESCCOc1ccccc1-n1c(CN(CC)CCNC)nc2ccccc2c1=O
InChIInChI=1S/C22H28N4O2/c1-4-25(15-14-23-3)16-21-24-18-11-7-6-10-17(18)22(27)26(21)19-12-8-9-13-20(19)28-5-2/h6-13,23H,4-5,14-16H2,1-3H3
InChIKeyWTWQMBZLASSOES-UHFFFAOYSA-N
XLogP2.83
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one
CID 1055194
3-(2-ethoxyphenyl)-2-[[4-(2-methylpentyl)piperazin-1-yl]methyl]quinazolin-4-one
CID 166663765
2-(chloromethyl)-3-(2-ethoxyphenyl)pyrido[3,4-d]pyrimidin-4-one
CID 89347691
N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42722498
tert-butyl 3-[[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CID 178045051
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42722529
3-(2-butoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 178045110
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 11633288
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(2-ethoxyphenyl)quinazolin-4-one
CID 2595210
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)benzenesulfonamide
CID 42722554
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2,2-diphenylacetamide
CID 42722470
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide
CID 42722454

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-2-[[ethyl-[2-(methylamino)ethyl]amino]methyl]quinazolin-4-one?
The IUPAC name of 3-(2-ethoxyphenyl)-2-[[ethyl-[2-(methylamino)ethyl]amino]methyl]quinazolin-4-one (CID 143618066) is 3-(2-ethoxyphenyl)-2-[[ethyl-[2-(methylamino)ethyl]amino]methyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-ethoxyphenyl)-2-[[ethyl-[2-(methylamino)ethyl]amino]methyl]quinazolin-4-one?
The canonical SMILES for 3-(2-ethoxyphenyl)-2-[[ethyl-[2-(methylamino)ethyl]amino]methyl]quinazolin-4-one is CCOc1ccccc1-n1c(CN(CC)CCNC)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-ethoxyphenyl)-2-[[ethyl-[2-(methylamino)ethyl]amino]methyl]quinazolin-4-one?
The InChIKey is WTWQMBZLASSOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-4-25(15-14-23-3)16-21-24-18-11-7-6-10-17(18)22(27)26(21)19-12-8-9-13-20(19)28-5-2/h6-13,23H,4-5,14-16H2,1-3H3.
What are the key properties of 3-(2-ethoxyphenyl)-2-[[ethyl-[2-(methylamino)ethyl]amino]methyl]quinazolin-4-one?
3-(2-ethoxyphenyl)-2-[[ethyl-[2-(methylamino)ethyl]amino]methyl]quinazolin-4-one has a molecular weight of 380.49 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-2-[[ethyl-[2-(methylamino)ethyl]amino]methyl]quinazolin-4-one is sourced from PubChem (CID 143618066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).