6-bromo-3-ethyl-2-[1-[4-(methylamino)piperidin-1-yl]butyl]quinazolin-4-one

C20H29BrN4O — CID 164617808

IUPAC6-bromo-3-ethyl-2-[1-[4-(methylamino)piperidin-1-yl]butyl]quinazolin-4-one
SMILESCCCC(c1nc2ccc(Br)cc2c(=O)n1CC)N1CCC(NC)CC1
InChIInChI=1S/C20H29BrN4O/c1-4-6-18(24-11-9-15(22-3)10-12-24)19-23-17-8-7-14(21)13-16(17)20(26)25(19)5-2/h7-8,13,15,18,22H,4-6,9-12H2,1-3H3
InChIKeyWAEGUHUSNCIBOV-UHFFFAOYSA-N
MW421.38 g/mol
LogP3.70
Rot. Bonds6

About 6-bromo-3-ethyl-2-[1-[4-(methylamino)piperidin-1-yl]butyl]quinazolin-4-one

6-bromo-3-ethyl-2-[1-[4-(methylamino)piperidin-1-yl]butyl]quinazolin-4-one (PubChem CID 164617808) has the molecular formula C20H29BrN4O and a molecular weight of 421.38 g/mol. Its IUPAC name is 6-bromo-3-ethyl-2-[1-[4-(methylamino)piperidin-1-yl]butyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-ethyl-2-[1-[4-(methylamino)piperidin-1-yl]butyl]quinazolin-4-one
PubChem CID164617808
Molecular FormulaC20H29BrN4O
Molecular Weight421.38 g/mol
Exact Mass420.15
IUPAC Name6-bromo-3-ethyl-2-[1-[4-(methylamino)piperidin-1-yl]butyl]quinazolin-4-one
SMILESCCCC(c1nc2ccc(Br)cc2c(=O)n1CC)N1CCC(NC)CC1
InChIInChI=1S/C20H29BrN4O/c1-4-6-18(24-11-9-15(22-3)10-12-24)19-23-17-8-7-14(21)13-16(17)20(26)25(19)5-2/h7-8,13,15,18,22H,4-6,9-12H2,1-3H3
InChIKeyWAEGUHUSNCIBOV-UHFFFAOYSA-N
XLogP3.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-3-ethyl-2-[1-(3-methylpiperazin-1-yl)butyl]quinazolin-4-one
CID 156783667
6-bromo-3-ethyl-2-[(1S)-1-[(3S)-3-(hydroxymethyl)piperazin-1-yl]butyl]quinazolin-4-one
CID 156783741
6-bromo-3-ethyl-2-[(1R)-1-[(3R)-3-(methoxymethyl)piperazin-1-yl]butyl]quinazolin-4-one
CID 162424459
6-bromo-2-(1-bromobutyl)-3-ethylquinazolin-4-one
CID 156783706
2-[6-bromo-2-[1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]butyl]-4-oxoquinazolin-3-yl]acetic acid
CID 163446105
6-bromo-3-ethyl-2-[(1R)-1-[(1R,3R)-3-methylcyclohexyl]butyl]quinazolin-4-one
CID 163907306
6-bromo-2-[(1S)-1-[(4S,7S)-1,7-dimethylazepan-4-yl]butyl]-3-ethylquinazolin-4-one
CID 166046863
tert-butyl 4-[1-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)butyl]-3-oxopiperazine-1-carboxylate
CID 151340980
6-bromo-3-ethyl-2-(1-piperidin-1-ylbutyl)pyrido[2,3-d]pyrimidin-4-one
CID 163800302
3-ethyl-6-methyl-2-[(1S)-1-[(3S)-3-methyl-1,4-diazepan-1-yl]butyl]quinazolin-4-one
CID 166046834
6-bromo-3-ethyl-7-fluoro-2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one
CID 163836084
[3-ethyl-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-4-oxoquinazolin-6-yl]oxyboronic acid
CID 176719431

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethyl-2-[1-[4-(methylamino)piperidin-1-yl]butyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-ethyl-2-[1-[4-(methylamino)piperidin-1-yl]butyl]quinazolin-4-one (CID 164617808) is 6-bromo-3-ethyl-2-[1-[4-(methylamino)piperidin-1-yl]butyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-ethyl-2-[1-[4-(methylamino)piperidin-1-yl]butyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-ethyl-2-[1-[4-(methylamino)piperidin-1-yl]butyl]quinazolin-4-one is CCCC(c1nc2ccc(Br)cc2c(=O)n1CC)N1CCC(NC)CC1.
What is the InChIKey of 6-bromo-3-ethyl-2-[1-[4-(methylamino)piperidin-1-yl]butyl]quinazolin-4-one?
The InChIKey is WAEGUHUSNCIBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BrN4O/c1-4-6-18(24-11-9-15(22-3)10-12-24)19-23-17-8-7-14(21)13-16(17)20(26)25(19)5-2/h7-8,13,15,18,22H,4-6,9-12H2,1-3H3.
What are the key properties of 6-bromo-3-ethyl-2-[1-[4-(methylamino)piperidin-1-yl]butyl]quinazolin-4-one?
6-bromo-3-ethyl-2-[1-[4-(methylamino)piperidin-1-yl]butyl]quinazolin-4-one has a molecular weight of 421.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethyl-2-[1-[4-(methylamino)piperidin-1-yl]butyl]quinazolin-4-one is sourced from PubChem (CID 164617808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).