8-methoxy-2-[1-methoxy-3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one

C20H30N4O4 — CID 177042416

IUPAC8-methoxy-2-[1-methoxy-3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one
SMILESCOCCN1CCN(CCC(OC)c2nc3c(OC)cccc3c(=O)[nH]2)CC1
InChIInChI=1S/C20H30N4O4/c1-26-14-13-24-11-9-23(10-12-24)8-7-17(28-3)19-21-18-15(20(25)22-19)5-4-6-16(18)27-2/h4-6,17H,7-14H2,1-3H3,(H,21,22,25)
InChIKeyBRDFZCXVAXHAQT-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.27
Rot. Bonds9

About 8-methoxy-2-[1-methoxy-3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one

8-methoxy-2-[1-methoxy-3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one (PubChem CID 177042416) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 8-methoxy-2-[1-methoxy-3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methoxy-2-[1-methoxy-3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one
PubChem CID177042416
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name8-methoxy-2-[1-methoxy-3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one
SMILESCOCCN1CCN(CCC(OC)c2nc3c(OC)cccc3c(=O)[nH]2)CC1
InChIInChI=1S/C20H30N4O4/c1-26-14-13-24-11-9-23(10-12-24)8-7-17(28-3)19-21-18-15(20(25)22-19)5-4-6-16(18)27-2/h4-6,17H,7-14H2,1-3H3,(H,21,22,25)
InChIKeyBRDFZCXVAXHAQT-UHFFFAOYSA-N
XLogP1.27
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-methoxy-2-[1-methoxy-3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

4-[[4-[2-(8-methoxy-4-oxo-3H-quinazolin-2-yl)ethyl]piperazin-1-yl]methyl]benzonitrile
CID 177042552
2-(dimethylamino)-8-methoxy-3H-quinazolin-4-one
CID 136981745
1-(2-methoxyethyl)-4-[(8-methoxy-4-methylquinolin-2-yl)methyl]pyrrolidin-2-one
CID 91829477
N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide
CID 136608254
2-(furan-3-yl)-8-methoxy-3H-quinazolin-4-one
CID 137190179
3-(8-methoxy-4-oxo-3H-quinazolin-2-yl)propanal
CID 177042597
S-[(8-methoxy-4-oxo-3H-quinazolin-2-yl)methyl] ethanethioate
CID 138745984
3-methoxy-3-(8-methoxy-4-oxo-3H-quinazolin-2-yl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]prop-2-enamide
CID 177042308
2-(2-ethoxyphenyl)-8-methoxy-3H-quinazolin-4-one
CID 135966513
8-methoxy-3-(2-morpholin-4-ylethyl)quinazolin-4-one
CID 39782631
1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one
CID 39379363
(2,6-dimethoxyphenyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074998

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-[1-methoxy-3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one?
The IUPAC name of 8-methoxy-2-[1-methoxy-3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one (CID 177042416) is 8-methoxy-2-[1-methoxy-3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one.
What is the SMILES notation for 8-methoxy-2-[1-methoxy-3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one?
The canonical SMILES for 8-methoxy-2-[1-methoxy-3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one is COCCN1CCN(CCC(OC)c2nc3c(OC)cccc3c(=O)[nH]2)CC1.
What is the InChIKey of 8-methoxy-2-[1-methoxy-3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one?
The InChIKey is BRDFZCXVAXHAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-26-14-13-24-11-9-23(10-12-24)8-7-17(28-3)19-21-18-15(20(25)22-19)5-4-6-16(18)27-2/h4-6,17H,7-14H2,1-3H3,(H,21,22,25).
What are the key properties of 8-methoxy-2-[1-methoxy-3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one?
8-methoxy-2-[1-methoxy-3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one has a molecular weight of 390.48 g/mol, XLogP of 1.27, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-[1-methoxy-3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]-3H-quinazolin-4-one is sourced from PubChem (CID 177042416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).