N-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide

C23H26N4O2 — CID 4606267

IUPACN-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c(CN3CCCCC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H26N4O2/c1-17-9-11-18(12-10-17)24-22(28)16-27-21(15-26-13-5-2-6-14-26)25-20-8-4-3-7-19(20)23(27)29/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,24,28)
InChIKeyGHXPVXBHSWHXAX-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.33
Rot. Bonds5

About N-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide

N-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide (PubChem CID 4606267) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
PubChem CID4606267
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c(CN3CCCCC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H26N4O2/c1-17-9-11-18(12-10-17)24-22(28)16-27-21(15-26-13-5-2-6-14-26)25-20-8-4-3-7-19(20)23(27)29/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,24,28)
InChIKeyGHXPVXBHSWHXAX-UHFFFAOYSA-N
XLogP3.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 655418
2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 8679806
N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 1166555
2-[5,6-dimethyl-4-oxo-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide
CID 39110468
3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one
CID 92589760
N-(4-acetylphenyl)-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 859989
N-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 45030780
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 45030855
2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one
CID 124927087
2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one
CID 2487613
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 45030818
1-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-3-(4-methylphenyl)thiourea
CID 3038441

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide (CID 4606267) is N-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide is Cc1ccc(NC(=O)Cn2c(CN3CCCCC3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
The InChIKey is GHXPVXBHSWHXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-9-11-18(12-10-17)24-22(28)16-27-21(15-26-13-5-2-6-14-26)25-20-8-4-3-7-19(20)23(27)29/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,24,28).
What are the key properties of N-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
N-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide has a molecular weight of 390.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide is sourced from PubChem (CID 4606267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).