5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one

C21H23N5O3 — CID 126894994

IUPAC5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)Oc1ncnc2ccc(N3CCN(C(=O)c4ccc(=O)[nH]c4)CC3)cc12
InChIInChI=1S/C21H23N5O3/c1-14(2)29-20-17-11-16(4-5-18(17)23-13-24-20)25-7-9-26(10-8-25)21(28)15-3-6-19(27)22-12-15/h3-6,11-14H,7-10H2,1-2H3,(H,22,27)
InChIKeyZGHUNRGLSMJKBA-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.07
Rot. Bonds4

About 5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one

5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 126894994) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID126894994
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)Oc1ncnc2ccc(N3CCN(C(=O)c4ccc(=O)[nH]c4)CC3)cc12
InChIInChI=1S/C21H23N5O3/c1-14(2)29-20-17-11-16(4-5-18(17)23-13-24-20)25-7-9-26(10-8-25)21(28)15-3-6-19(27)22-12-15/h3-6,11-14H,7-10H2,1-2H3,(H,22,27)
InChIKeyZGHUNRGLSMJKBA-UHFFFAOYSA-N
XLogP2.07
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methanone
CID 126894977
6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline
CID 126895251
2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone
CID 126895013
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one
CID 126895204
6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline
CID 126895043
[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126894625
1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 126895198
[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 126894591
5-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 4826168
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126895037
1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
CID 126895187
5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 90516890

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 126894994) is 5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one is CC(C)Oc1ncnc2ccc(N3CCN(C(=O)c4ccc(=O)[nH]c4)CC3)cc12.
What is the InChIKey of 5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is ZGHUNRGLSMJKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-14(2)29-20-17-11-16(4-5-18(17)23-13-24-20)25-7-9-26(10-8-25)21(28)15-3-6-19(27)22-12-15/h3-6,11-14H,7-10H2,1-2H3,(H,22,27).
What are the key properties of 5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one?
5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 393.45 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 126894994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).