2,4-dioxo-3-phenyl-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide

C23H26N4O3 — CID 41277198

IUPAC2,4-dioxo-3-phenyl-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C23H26N4O3/c28-21(24-12-7-15-26-13-5-2-6-14-26)17-10-11-19-20(16-17)25-23(30)27(22(19)29)18-8-3-1-4-9-18/h1,3-4,8-11,16H,2,5-7,12-15H2,(H,24,28)(H,25,30)
InChIKeyHCFJORCDFXKMES-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.28
Rot. Bonds6

About 2,4-dioxo-3-phenyl-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide

2,4-dioxo-3-phenyl-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide (PubChem CID 41277198) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2,4-dioxo-3-phenyl-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-3-phenyl-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide
PubChem CID41277198
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2,4-dioxo-3-phenyl-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C23H26N4O3/c28-21(24-12-7-15-26-13-5-2-6-14-26)17-10-11-19-20(16-17)25-23(30)27(22(19)29)18-8-3-1-4-9-18/h1,3-4,8-11,16H,2,5-7,12-15H2,(H,24,28)(H,25,30)
InChIKeyHCFJORCDFXKMES-UHFFFAOYSA-N
XLogP2.28
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.28
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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Related Compounds

N-(2-morpholin-4-ylethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 22109781
N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 17412668
2,4-dioxo-3-phenyl-N-prop-2-ynyl-1H-quinazoline-7-carboxamide
CID 17434509
2,4-dioxo-3-(2-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)-1H-quinazoline-7-carboxamide
CID 3241648
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]benzamide
CID 69189993
2,4-dioxo-3-phenyl-N-(2-pyridin-2-ylethyl)-1H-quinazoline-7-carboxamide
CID 24540652
9-oxo-N-(3-piperidin-1-ylpropyl)fluorene-2-carboxamide
CID 25467153
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 121020861
N-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 67424998
N-[2-(2-bromoanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 24681676
N-(2-benzylsulfanylethyl)-3-(4-methylphenyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15996626
N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 35377516

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-3-phenyl-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide?
The IUPAC name of 2,4-dioxo-3-phenyl-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide (CID 41277198) is 2,4-dioxo-3-phenyl-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 2,4-dioxo-3-phenyl-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide?
The canonical SMILES for 2,4-dioxo-3-phenyl-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide is O=C(NCCCN1CCCCC1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of 2,4-dioxo-3-phenyl-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide?
The InChIKey is HCFJORCDFXKMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-21(24-12-7-15-26-13-5-2-6-14-26)17-10-11-19-20(16-17)25-23(30)27(22(19)29)18-8-3-1-4-9-18/h1,3-4,8-11,16H,2,5-7,12-15H2,(H,24,28)(H,25,30).
What are the key properties of 2,4-dioxo-3-phenyl-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide?
2,4-dioxo-3-phenyl-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-3-phenyl-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 41277198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).