3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione

C21H19N5O3 — CID 91632111

IUPAC3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
SMILESO=C(c1n[nH]c2ccccc12)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C21H19N5O3/c27-19-15-6-2-3-7-16(15)22-21(29)26(19)13-9-11-25(12-10-13)20(28)18-14-5-1-4-8-17(14)23-24-18/h1-8,13H,9-12H2,(H,22,29)(H,23,24)
InChIKeyNGUYCQQQUWPRMK-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.04
Rot. Bonds2

About 3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione

3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione (PubChem CID 91632111) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
PubChem CID91632111
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
SMILESO=C(c1n[nH]c2ccccc12)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C21H19N5O3/c27-19-15-6-2-3-7-16(15)22-21(29)26(19)13-9-11-25(12-10-13)20(28)18-14-5-1-4-8-17(14)23-24-18/h1-8,13H,9-12H2,(H,22,29)(H,23,24)
InChIKeyNGUYCQQQUWPRMK-UHFFFAOYSA-N
XLogP2.04
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 91632068
1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 71912055
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 100745438
3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 91632072
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 56913865
3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 129416598
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone
CID 49077810
1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 124776562

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione (CID 91632111) is 3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione is O=C(c1n[nH]c2ccccc12)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1.
What is the InChIKey of 3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
The InChIKey is NGUYCQQQUWPRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c27-19-15-6-2-3-7-16(15)22-21(29)26(19)13-9-11-25(12-10-13)20(28)18-14-5-1-4-8-17(14)23-24-18/h1-8,13H,9-12H2,(H,22,29)(H,23,24).
What are the key properties of 3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione has a molecular weight of 389.42 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 91632111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).