2-[2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide

C20H21BrN4O2 — CID 51565414

IUPAC2-[2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
SMILESCC[C@@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C20H21BrN4O2/c1-2-16(13-7-9-14(21)10-8-13)23-11-19-24-17-6-4-3-5-15(17)20(27)25(19)12-18(22)26/h3-10,16,23H,2,11-12H2,1H3,(H2,22,26)/t16-/m1/s1
InChIKeyOQJMOSNKCCELFV-MRXNPFEDSA-N
MW429.32 g/mol
LogP2.89
Rot. Bonds7

About 2-[2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide

2-[2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide (PubChem CID 51565414) has the molecular formula C20H21BrN4O2 and a molecular weight of 429.32 g/mol. Its IUPAC name is 2-[2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
PubChem CID51565414
Molecular FormulaC20H21BrN4O2
Molecular Weight429.32 g/mol
Exact Mass428.08
IUPAC Name2-[2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
SMILESCC[C@@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C20H21BrN4O2/c1-2-16(13-7-9-14(21)10-8-13)23-11-19-24-17-6-4-3-5-15(17)20(27)25(19)12-18(22)26/h3-10,16,23H,2,11-12H2,1H3,(H2,22,26)/t16-/m1/s1
InChIKeyOQJMOSNKCCELFV-MRXNPFEDSA-N
XLogP2.89
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 9132793
2-[4-oxo-2-[[1-(4-sulfamoylphenyl)ethylamino]methyl]quinazolin-3-yl]acetamide
CID 47010900
2-[2-[[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 8868552
2-[[[(1S)-1-(4-bromophenyl)propyl]amino]methyl]-3-(4-ethoxyphenyl)quinazolin-4-one
CID 51565114
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923695
N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7529253
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(4-butylphenyl)-2-methylpropyl]azanium
CID 8998491
2-[2-[[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 24681168
2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 8679806
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium
CID 8558706
3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one
CID 1051972
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 8688250

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of 2-[2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide (CID 51565414) is 2-[2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for 2-[2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for 2-[2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide is CC[C@@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is OQJMOSNKCCELFV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21BrN4O2/c1-2-16(13-7-9-14(21)10-8-13)23-11-19-24-17-6-4-3-5-15(17)20(27)25(19)12-18(22)26/h3-10,16,23H,2,11-12H2,1H3,(H2,22,26)/t16-/m1/s1.
What are the key properties of 2-[2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide?
2-[2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 429.32 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 51565414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).