2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

C19H18BrN3O3 — CID 96503311

IUPAC2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@H](C)NC(=O)Cn1cnc2cc(Br)ccc2c1=O
InChIInChI=1S/C19H18BrN3O3/c1-12(14-5-3-4-6-17(14)26-2)22-18(24)10-23-11-21-16-9-13(20)7-8-15(16)19(23)25/h3-9,11-12H,10H2,1-2H3,(H,22,24)/t12-/m0/s1
InChIKeyRYTAJZYYYIEQBD-LBPRGKRZSA-N
MW416.28 g/mol
LogP3.05
Rot. Bonds5

About 2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 96503311) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID96503311
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@H](C)NC(=O)Cn1cnc2cc(Br)ccc2c1=O
InChIInChI=1S/C19H18BrN3O3/c1-12(14-5-3-4-6-17(14)26-2)22-18(24)10-23-11-21-16-9-13(20)7-8-15(16)19(23)25/h3-9,11-12H,10H2,1-2H3,(H,22,24)/t12-/m0/s1
InChIKeyRYTAJZYYYIEQBD-LBPRGKRZSA-N
XLogP3.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide with MolForge

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]acetamide
CID 55706810
2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 78961298
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 17458089
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 43009851
N-[1-(3-bromophenyl)ethyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55577613
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 56745247
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55379236
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 40743912
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26813139
N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 120507203
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)butanamide
CID 46657700

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (CID 96503311) is 2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1[C@H](C)NC(=O)Cn1cnc2cc(Br)ccc2c1=O.
What is the InChIKey of 2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is RYTAJZYYYIEQBD-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-12(14-5-3-4-6-17(14)26-2)22-18(24)10-23-11-21-16-9-13(20)7-8-15(16)19(23)25/h3-9,11-12H,10H2,1-2H3,(H,22,24)/t12-/m0/s1.
What are the key properties of 2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 416.28 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 96503311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).