5-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(N-ethylanilino)propyl]pentanamide

C24H30N4O3 — CID 3244549

IUPAC5-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(N-ethylanilino)propyl]pentanamide
SMILESCCN(CCCNC(=O)CCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C24H30N4O3/c1-2-27(19-11-4-3-5-12-19)17-10-16-25-22(29)15-8-9-18-28-23(30)20-13-6-7-14-21(20)26-24(28)31/h3-7,11-14H,2,8-10,15-18H2,1H3,(H,25,29)(H,26,31)
InChIKeyCKUQWLJXIVOOIB-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.89
Rot. Bonds11

About 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(N-ethylanilino)propyl]pentanamide

5-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(N-ethylanilino)propyl]pentanamide (PubChem CID 3244549) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(N-ethylanilino)propyl]pentanamide.

Molecular Properties

Compound Name5-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(N-ethylanilino)propyl]pentanamide
PubChem CID3244549
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name5-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(N-ethylanilino)propyl]pentanamide
SMILESCCN(CCCNC(=O)CCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C24H30N4O3/c1-2-27(19-11-4-3-5-12-19)17-10-16-25-22(29)15-8-9-18-28-23(30)20-13-6-7-14-21(20)26-24(28)31/h3-7,11-14H,2,8-10,15-18H2,1H3,(H,25,29)(H,26,31)
InChIKeyCKUQWLJXIVOOIB-UHFFFAOYSA-N
XLogP2.89
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(N-ethylanilino)propyl]pentanamide?
The IUPAC name of 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(N-ethylanilino)propyl]pentanamide (CID 3244549) is 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(N-ethylanilino)propyl]pentanamide.
What is the SMILES notation for 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(N-ethylanilino)propyl]pentanamide?
The canonical SMILES for 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(N-ethylanilino)propyl]pentanamide is CCN(CCCNC(=O)CCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1.
What is the InChIKey of 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(N-ethylanilino)propyl]pentanamide?
The InChIKey is CKUQWLJXIVOOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-2-27(19-11-4-3-5-12-19)17-10-16-25-22(29)15-8-9-18-28-23(30)20-13-6-7-14-21(20)26-24(28)31/h3-7,11-14H,2,8-10,15-18H2,1H3,(H,25,29)(H,26,31).
What are the key properties of 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(N-ethylanilino)propyl]pentanamide?
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(N-ethylanilino)propyl]pentanamide has a molecular weight of 422.53 g/mol, XLogP of 2.89, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(N-ethylanilino)propyl]pentanamide is sourced from PubChem (CID 3244549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).