3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]propanamide

C22H31BrN4O2 — CID 55658756

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]propanamide
SMILESCC1CCN(C(CNC(=O)CCn2cnc3ccc(Br)cc3c2=O)C(C)C)CC1
InChIInChI=1S/C22H31BrN4O2/c1-15(2)20(26-9-6-16(3)7-10-26)13-24-21(28)8-11-27-14-25-19-5-4-17(23)12-18(19)22(27)29/h4-5,12,14-16,20H,6-11,13H2,1-3H3,(H,24,28)
InChIKeyMRIAZTLYHYTCEB-UHFFFAOYSA-N
MW463.42 g/mol
LogP3.42
Rot. Bonds7

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]propanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]propanamide (PubChem CID 55658756) has the molecular formula C22H31BrN4O2 and a molecular weight of 463.42 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]propanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]propanamide
PubChem CID55658756
Molecular FormulaC22H31BrN4O2
Molecular Weight463.42 g/mol
Exact Mass462.16
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]propanamide
SMILESCC1CCN(C(CNC(=O)CCn2cnc3ccc(Br)cc3c2=O)C(C)C)CC1
InChIInChI=1S/C22H31BrN4O2/c1-15(2)20(26-9-6-16(3)7-10-26)13-24-21(28)8-11-27-14-25-19-5-4-17(23)12-18(19)22(27)29/h4-5,12,14-16,20H,6-11,13H2,1-3H3,(H,24,28)
InChIKeyMRIAZTLYHYTCEB-UHFFFAOYSA-N
XLogP3.42
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]propanamide with MolForge

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Related Compounds

3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 60551759
N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52516514
N-[(2S)-1-aminopropan-2-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 120506243
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 51330900
N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 119616697
6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 31069717
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 24621684
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120602457
6-bromo-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 42938979
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 24622378
ethyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 36861207
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-methyl-1-phenylbutyl)propanamide
CID 24684081

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]propanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]propanamide (CID 55658756) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]propanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]propanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]propanamide is CC1CCN(C(CNC(=O)CCn2cnc3ccc(Br)cc3c2=O)C(C)C)CC1.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]propanamide?
The InChIKey is MRIAZTLYHYTCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31BrN4O2/c1-15(2)20(26-9-6-16(3)7-10-26)13-24-21(28)8-11-27-14-25-19-5-4-17(23)12-18(19)22(27)29/h4-5,12,14-16,20H,6-11,13H2,1-3H3,(H,24,28).
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]propanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]propanamide has a molecular weight of 463.42 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]propanamide is sourced from PubChem (CID 55658756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).