3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione

C32H35N3O3 — CID 163775470

IUPAC3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione
SMILESCCC(=O)c1ccc(Cn2c(=O)n(CCc3ccc(CN4CCCCC4)cc3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C32H35N3O3/c1-2-30(36)27-16-14-26(15-17-27)23-35-29-9-5-4-8-28(29)31(37)34(32(35)38)21-18-24-10-12-25(13-11-24)22-33-19-6-3-7-20-33/h4-5,8-17H,2-3,6-7,18-23H2,1H3
InChIKeySMECBEOULINNAJ-UHFFFAOYSA-N
MW509.65 g/mol
LogP5.03
Rot. Bonds9

About 3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione

3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione (PubChem CID 163775470) has the molecular formula C32H35N3O3 and a molecular weight of 509.65 g/mol. Its IUPAC name is 3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione
PubChem CID163775470
Molecular FormulaC32H35N3O3
Molecular Weight509.65 g/mol
Exact Mass509.27
IUPAC Name3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione
SMILESCCC(=O)c1ccc(Cn2c(=O)n(CCc3ccc(CN4CCCCC4)cc3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C32H35N3O3/c1-2-30(36)27-16-14-26(15-17-27)23-35-29-9-5-4-8-28(29)31(37)34(32(35)38)21-18-24-10-12-25(13-11-24)22-33-19-6-3-7-20-33/h4-5,8-17H,2-3,6-7,18-23H2,1H3
InChIKeySMECBEOULINNAJ-UHFFFAOYSA-N
XLogP5.03
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione with MolForge

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Related Compounds

4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 138377601
3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 163574478
3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione
CID 163854867
1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(2-hydroxyphenyl)ethyl]quinazoline-2,4-dione
CID 163554761
[[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoyl]amino] acetate
CID 150377119
3-[2-(4-hydroxyphenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione
CID 163967167
4-[[3-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 151448807
2-[4-[[3-[2-(4-chlorophenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 175872732
4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide
CID 38104347
4-[[3-[2-(3-chloro-4-methoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 151340752
[[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoyl]amino] 2-amino-3-methylbutanoate
CID 154629217
3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 15994271

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione?
The IUPAC name of 3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione (CID 163775470) is 3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione?
The canonical SMILES for 3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione is CCC(=O)c1ccc(Cn2c(=O)n(CCc3ccc(CN4CCCCC4)cc3)c(=O)c3ccccc32)cc1.
What is the InChIKey of 3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione?
The InChIKey is SMECBEOULINNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O3/c1-2-30(36)27-16-14-26(15-17-27)23-35-29-9-5-4-8-28(29)31(37)34(32(35)38)21-18-24-10-12-25(13-11-24)22-33-19-6-3-7-20-33/h4-5,8-17H,2-3,6-7,18-23H2,1H3.
What are the key properties of 3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione?
3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione has a molecular weight of 509.65 g/mol, XLogP of 5.03, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 163775470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).