4-(4-oxo-3H-quinazolin-2-yl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide

C24H30N6O2 — CID 136902471

IUPAC4-(4-oxo-3H-quinazolin-2-yl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H30N6O2/c1-18(17-29-13-15-30(16-14-29)22-10-4-5-12-25-22)26-23(31)11-6-9-21-27-20-8-3-2-7-19(20)24(32)28-21/h2-5,7-8,10,12,18H,6,9,11,13-17H2,1H3,(H,26,31)(H,27,28,32)
InChIKeyHAEQNZJAIBJGOQ-UHFFFAOYSA-N
MW434.54 g/mol
LogP1.97
Rot. Bonds8

About 4-(4-oxo-3H-quinazolin-2-yl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide

4-(4-oxo-3H-quinazolin-2-yl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide (PubChem CID 136902471) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-(4-oxo-3H-quinazolin-2-yl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide.

Molecular Properties

Compound Name4-(4-oxo-3H-quinazolin-2-yl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide
PubChem CID136902471
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name4-(4-oxo-3H-quinazolin-2-yl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H30N6O2/c1-18(17-29-13-15-30(16-14-29)22-10-4-5-12-25-22)26-23(31)11-6-9-21-27-20-8-3-2-7-19(20)24(32)28-21/h2-5,7-8,10,12,18H,6,9,11,13-17H2,1H3,(H,26,31)(H,27,28,32)
InChIKeyHAEQNZJAIBJGOQ-UHFFFAOYSA-N
XLogP1.97
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-oxo-3H-quinazolin-2-yl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137024790
N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 136696915
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135925520
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137137335
N-[4-oxo-4-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]butyl]thiophene-2-carboxamide
CID 86968886
2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 86968963
2-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 137309600
2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 137289698
2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135877794
(2R)-3-(4-hydroxyphenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)butanoylamino]propanoic acid
CID 135625145
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137127135
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-3H-quinazolin-2-yl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide?
The IUPAC name of 4-(4-oxo-3H-quinazolin-2-yl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide (CID 136902471) is 4-(4-oxo-3H-quinazolin-2-yl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide.
What is the SMILES notation for 4-(4-oxo-3H-quinazolin-2-yl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide?
The canonical SMILES for 4-(4-oxo-3H-quinazolin-2-yl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide is CC(CN1CCN(c2ccccn2)CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 4-(4-oxo-3H-quinazolin-2-yl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide?
The InChIKey is HAEQNZJAIBJGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-18(17-29-13-15-30(16-14-29)22-10-4-5-12-25-22)26-23(31)11-6-9-21-27-20-8-3-2-7-19(20)24(32)28-21/h2-5,7-8,10,12,18H,6,9,11,13-17H2,1H3,(H,26,31)(H,27,28,32).
What are the key properties of 4-(4-oxo-3H-quinazolin-2-yl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide?
4-(4-oxo-3H-quinazolin-2-yl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide has a molecular weight of 434.54 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-3H-quinazolin-2-yl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide is sourced from PubChem (CID 136902471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).