N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide

C20H26N4O3 — CID 47015246

IUPACN-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
SMILESCC(=O)N1CCC(NC(=O)CCCn2cnc3c(C)cccc3c2=O)CC1
InChIInChI=1S/C20H26N4O3/c1-14-5-3-6-17-19(14)21-13-24(20(17)27)10-4-7-18(26)22-16-8-11-23(12-9-16)15(2)25/h3,5-6,13,16H,4,7-12H2,1-2H3,(H,22,26)
InChIKeySFAZUSJTNSLSHD-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.61
Rot. Bonds5

About N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide

N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide (PubChem CID 47015246) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
PubChem CID47015246
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
SMILESCC(=O)N1CCC(NC(=O)CCCn2cnc3c(C)cccc3c2=O)CC1
InChIInChI=1S/C20H26N4O3/c1-14-5-3-6-17-19(14)21-13-24(20(17)27)10-4-7-18(26)22-16-8-11-23(12-9-16)15(2)25/h3,5-6,13,16H,4,7-12H2,1-2H3,(H,22,26)
InChIKeySFAZUSJTNSLSHD-UHFFFAOYSA-N
XLogP1.61
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide with MolForge

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Related Compounds

ethyl 4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 31844800
N-(3,4-dihydro-2H-chromen-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 18121783
4-(8-methyl-4-oxoquinazolin-3-yl)butanoate
CID 9167242
3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one
CID 18132606
8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 119544609
diethyl 2-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]propanedioate
CID 33254183
N-[2-(aminomethyl)cyclohexyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 119610697
[2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938357
N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 35860309
3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-8-methylquinazolin-4-one;hydrochloride
CID 119518652
N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide
CID 108561273
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 51272641

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide (CID 47015246) is N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide is CC(=O)N1CCC(NC(=O)CCCn2cnc3c(C)cccc3c2=O)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The InChIKey is SFAZUSJTNSLSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-5-3-6-17-19(14)21-13-24(20(17)27)10-4-7-18(26)22-16-8-11-23(12-9-16)15(2)25/h3,5-6,13,16H,4,7-12H2,1-2H3,(H,22,26).
What are the key properties of N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide has a molecular weight of 370.45 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 47015246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).