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

C21H24N4O2 — CID 9132793

IUPAC2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
SMILESCC(C)[C@@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccccc1
InChIInChI=1S/C21H24N4O2/c1-14(2)20(15-8-4-3-5-9-15)23-12-19-24-17-11-7-6-10-16(17)21(27)25(19)13-18(22)26/h3-11,14,20,23H,12-13H2,1-2H3,(H2,22,26)/t20-/m1/s1
InChIKeyAHZBJLQGLWXRLJ-HXUWFJFHSA-N
MW364.45 g/mol
LogP2.37
Rot. Bonds7

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

2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide (PubChem CID 9132793) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
PubChem CID9132793
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
SMILESCC(C)[C@@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccccc1
InChIInChI=1S/C21H24N4O2/c1-14(2)20(15-8-4-3-5-9-15)23-12-19-24-17-11-7-6-10-16(17)21(27)25(19)13-18(22)26/h3-11,14,20,23H,12-13H2,1-2H3,(H2,22,26)/t20-/m1/s1
InChIKeyAHZBJLQGLWXRLJ-HXUWFJFHSA-N
XLogP2.37
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-oxo-2-[[1-(4-sulfamoylphenyl)ethylamino]methyl]quinazolin-3-yl]acetamide
CID 47010900
2-[2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 51565414
2-[2-[[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 8868552
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923695
2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 8679806
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylazanium
CID 8804996
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(4-butylphenyl)-2-methylpropyl]azanium
CID 8998491
methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate
CID 8754555
2-[2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide
CID 24522184
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 8688250
2-[4-oxo-2-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetamide
CID 24606157
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium
CID 8558706

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of 2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide (CID 9132793) is 2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for 2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for 2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide is CC(C)[C@@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccccc1.
What is the InChIKey of 2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is AHZBJLQGLWXRLJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(2)20(15-8-4-3-5-9-15)23-12-19-24-17-11-7-6-10-16(17)21(27)25(19)13-18(22)26/h3-11,14,20,23H,12-13H2,1-2H3,(H2,22,26)/t20-/m1/s1.
What are the key properties of 2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide?
2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 9132793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).