N-butyl-3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide

C24H34N4O4 — CID 3241421

IUPACN-butyl-3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide
SMILESCCCCNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)N2CC(C)CC(C)C2)c1=O
InChIInChI=1S/C24H34N4O4/c1-4-5-11-25-21(29)10-12-27-23(31)19-8-6-7-9-20(19)28(24(27)32)16-22(30)26-14-17(2)13-18(3)15-26/h6-9,17-18H,4-5,10-16H2,1-3H3,(H,25,29)
InChIKeyOTVYTMIHNDISEZ-UHFFFAOYSA-N
MW442.56 g/mol
LogP1.97
Rot. Bonds8

About N-butyl-3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide

N-butyl-3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide (PubChem CID 3241421) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-butyl-3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide.

Molecular Properties

Compound NameN-butyl-3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide
PubChem CID3241421
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC NameN-butyl-3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide
SMILESCCCCNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)N2CC(C)CC(C)C2)c1=O
InChIInChI=1S/C24H34N4O4/c1-4-5-11-25-21(29)10-12-27-23(31)19-8-6-7-9-20(19)28(24(27)32)16-22(30)26-14-17(2)13-18(3)15-26/h6-9,17-18H,4-5,10-16H2,1-3H3,(H,25,29)
InChIKeyOTVYTMIHNDISEZ-UHFFFAOYSA-N
XLogP1.97
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ketanserin
CID 3822
3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione
CID 78766
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
2-(4-(dimethylamino)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3157451
Moquizone
CID 63216
Glycosmicine
CID 11788
2,3-Dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
CID 2818760
2,3-Dihydro-2-methyl-4(1H)-quinazolinone
CID 14807234
2,3-Dihydro-2-(3-methylphenyl)-4(1H)-quinazolinone
CID 292559
3-Allyl-2-mercapto-3H-quinazolin-4-one
CID 657947
5-Fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-YL)butyl]quinazoline-2,4(1H,3H)-dione
CID 448890
Trans-N-Benzyl-4-({1-[(6-Methyl-4-Oxo-4h-Pyrido[1,2-A]pyrimidin-2-Yl)methyl]-2,4-Dioxo-1,4-Dihydroquinazolin-3(2h)-Yl}methyl)cyclohexanecarboxamide
CID 15995771

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide?
The IUPAC name of N-butyl-3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide (CID 3241421) is N-butyl-3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide.
What is the SMILES notation for N-butyl-3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide?
The canonical SMILES for N-butyl-3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide is CCCCNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)N2CC(C)CC(C)C2)c1=O.
What is the InChIKey of N-butyl-3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide?
The InChIKey is OTVYTMIHNDISEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-4-5-11-25-21(29)10-12-27-23(31)19-8-6-7-9-20(19)28(24(27)32)16-22(30)26-14-17(2)13-18(3)15-26/h6-9,17-18H,4-5,10-16H2,1-3H3,(H,25,29).
What are the key properties of N-butyl-3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide?
N-butyl-3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide has a molecular weight of 442.56 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide is sourced from PubChem (CID 3241421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).