3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one

C26H32N4O3 — CID 58710167

IUPAC3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one
SMILESCCCCC(=O)N1CCN(C(C)c2nc3ccccc3c(=O)n2-c2ccccc2OC)CC1
InChIInChI=1S/C26H32N4O3/c1-4-5-14-24(31)29-17-15-28(16-18-29)19(2)25-27-21-11-7-6-10-20(21)26(32)30(25)22-12-8-9-13-23(22)33-3/h6-13,19H,4-5,14-18H2,1-3H3
InChIKeyHBVXNPPSZFBSAK-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.79
Rot. Bonds7

About 3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one

3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one (PubChem CID 58710167) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one
PubChem CID58710167
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one
SMILESCCCCC(=O)N1CCN(C(C)c2nc3ccccc3c(=O)n2-c2ccccc2OC)CC1
InChIInChI=1S/C26H32N4O3/c1-4-5-14-24(31)29-17-15-28(16-18-29)19(2)25-27-21-11-7-6-10-20(21)26(32)30(25)22-12-8-9-13-23(22)33-3/h6-13,19H,4-5,14-18H2,1-3H3
InChIKeyHBVXNPPSZFBSAK-UHFFFAOYSA-N
XLogP3.79
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one with MolForge

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Related Compounds

3-(4-bromophenyl)-2-[1-(4-hexanoylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 42716002
2-[(1S)-1-(butylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7236674
3-(2-methoxyphenyl)-2-[1-[3-methyl-4-(4-pentylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 4286688
3-(2-ethoxyphenyl)-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 11627395
N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide
CID 42720914
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 769883
2-[1-[4-(2,2-dichloroacetyl)-3-methylpiperazin-1-yl]ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 11634556
N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 42657642
ethyl 4-[butyl-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-4-oxobutanoate
CID 4316094
[(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7231317
3-(2-methoxyphenyl)-2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 42722370
2-[1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 42722371

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one (CID 58710167) is 3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one is CCCCC(=O)N1CCN(C(C)c2nc3ccccc3c(=O)n2-c2ccccc2OC)CC1.
What is the InChIKey of 3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one?
The InChIKey is HBVXNPPSZFBSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-4-5-14-24(31)29-17-15-28(16-18-29)19(2)25-27-21-11-7-6-10-20(21)26(32)30(25)22-12-8-9-13-23(22)33-3/h6-13,19H,4-5,14-18H2,1-3H3.
What are the key properties of 3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one?
3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one has a molecular weight of 448.57 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one is sourced from PubChem (CID 58710167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).