8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one

C19H26N4O2 — CID 119544609

IUPAC8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESCNCC1CCN(C(=O)CCn2cnc3c(C)cccc3c2=O)CC1
InChIInChI=1S/C19H26N4O2/c1-14-4-3-5-16-18(14)21-13-23(19(16)25)11-8-17(24)22-9-6-15(7-10-22)12-20-2/h3-5,13,15,20H,6-12H2,1-2H3
InChIKeyAXOKHZNOZKPXKB-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.55
Rot. Bonds5

About 8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one

8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one (PubChem CID 119544609) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
PubChem CID119544609
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESCNCC1CCN(C(=O)CCn2cnc3c(C)cccc3c2=O)CC1
InChIInChI=1S/C19H26N4O2/c1-14-4-3-5-16-18(14)21-13-23(19(16)25)11-8-17(24)22-9-6-15(7-10-22)12-20-2/h3-5,13,15,20H,6-12H2,1-2H3
InChIKeyAXOKHZNOZKPXKB-UHFFFAOYSA-N
XLogP1.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methyl-3-[3-oxo-3-[4-(2-phenylethyl)piperidin-1-yl]propyl]quinazolin-4-one
CID 30085391
3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-8-methylquinazolin-4-one;hydrochloride
CID 119518652
3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 119546689
3-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-8-methylquinazolin-4-one;hydrochloride
CID 119416183
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 51272641
8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one
CID 95585347
8-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one
CID 51272117
3-[3-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one
CID 94486962
8-methyl-3-[3-oxo-3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]propyl]quinazolin-4-one
CID 86890883
3-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one;hydrochloride
CID 119397174
N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 47015246
N-(2-chlorophenyl)-2-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 34408005

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The IUPAC name of 8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one (CID 119544609) is 8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one.
What is the SMILES notation for 8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The canonical SMILES for 8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one is CNCC1CCN(C(=O)CCn2cnc3c(C)cccc3c2=O)CC1.
What is the InChIKey of 8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The InChIKey is AXOKHZNOZKPXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-4-3-5-16-18(14)21-13-23(19(16)25)11-8-17(24)22-9-6-15(7-10-22)12-20-2/h3-5,13,15,20H,6-12H2,1-2H3.
What are the key properties of 8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one?
8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one has a molecular weight of 342.44 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one is sourced from PubChem (CID 119544609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).