3-(2-ethoxyphenyl)-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one

C30H32N4O3 — CID 11627395

IUPAC3-(2-ethoxyphenyl)-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
SMILESCCOc1ccccc1-n1c(C(C)N2CCN(C(=O)c3ccccc3C)CC2)nc2ccccc2c1=O
InChIInChI=1S/C30H32N4O3/c1-4-37-27-16-10-9-15-26(27)34-28(31-25-14-8-7-13-24(25)30(34)36)22(3)32-17-19-33(20-18-32)29(35)23-12-6-5-11-21(23)2/h5-16,22H,4,17-20H2,1-3H3
InChIKeyKDUYCXMOJOJFNG-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.61
Rot. Bonds6

About 3-(2-ethoxyphenyl)-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one

3-(2-ethoxyphenyl)-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one (PubChem CID 11627395) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
PubChem CID11627395
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC Name3-(2-ethoxyphenyl)-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
SMILESCCOc1ccccc1-n1c(C(C)N2CCN(C(=O)c3ccccc3C)CC2)nc2ccccc2c1=O
InChIInChI=1S/C30H32N4O3/c1-4-37-27-16-10-9-15-26(27)34-28(31-25-14-8-7-13-24(25)30(34)36)22(3)32-17-19-33(20-18-32)29(35)23-12-6-5-11-21(23)2/h5-16,22H,4,17-20H2,1-3H3
InChIKeyKDUYCXMOJOJFNG-UHFFFAOYSA-N
XLogP4.61
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-ethoxyphenyl)-2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-[1-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-(1-piperazin-1-ylethyl)quinazolin-4-one
CID 143270252
3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 58710167
3-(2-ethoxyphenyl)-2-[1-[4-[2-[4-[(1-methylsulfanylethylamino)methyl]phenoxy]acetyl]piperazin-1-yl]ethyl]quinazolin-4-one
CID 139292362
7-chloro-2-[1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one
CID 58228556
2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one
CID 1055194
N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42722498
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 11633288
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42722529
6-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 59993194
7-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 42715106
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-pentyl-2,2-diphenylacetamide
CID 42722539

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one?
The IUPAC name of 3-(2-ethoxyphenyl)-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one (CID 11627395) is 3-(2-ethoxyphenyl)-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-ethoxyphenyl)-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one?
The canonical SMILES for 3-(2-ethoxyphenyl)-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one is CCOc1ccccc1-n1c(C(C)N2CCN(C(=O)c3ccccc3C)CC2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-ethoxyphenyl)-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one?
The InChIKey is KDUYCXMOJOJFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-4-37-27-16-10-9-15-26(27)34-28(31-25-14-8-7-13-24(25)30(34)36)22(3)32-17-19-33(20-18-32)29(35)23-12-6-5-11-21(23)2/h5-16,22H,4,17-20H2,1-3H3.
What are the key properties of 3-(2-ethoxyphenyl)-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one?
3-(2-ethoxyphenyl)-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one has a molecular weight of 496.61 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one is sourced from PubChem (CID 11627395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).