N-[(1S)-1-(2-bromophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide

C19H18BrN3O3 — CID 25479451

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESC[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1Br
InChIInChI=1S/C19H18BrN3O3/c1-12(13-6-2-4-8-15(13)20)21-17(24)10-11-23-16-9-5-3-7-14(16)18(25)22-19(23)26/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,25,26)/t12-/m0/s1
InChIKeyJDXYABALGFOQSU-LBPRGKRZSA-N
MW416.28 g/mol
LogP2.72
Rot. Bonds5

About N-[(1S)-1-(2-bromophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide

N-[(1S)-1-(2-bromophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide (PubChem CID 25479451) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
PubChem CID25479451
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESC[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1Br
InChIInChI=1S/C19H18BrN3O3/c1-12(13-6-2-4-8-15(13)20)21-17(24)10-11-23-16-9-5-3-7-14(16)18(25)22-19(23)26/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,25,26)/t12-/m0/s1
InChIKeyJDXYABALGFOQSU-LBPRGKRZSA-N
XLogP2.72
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide
CID 46662175
N-benzhydryl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 18104755
3-(2,4-dioxoquinazolin-1-yl)-N-heptan-2-ylpropanamide
CID 51339285
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 26006226
propan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate
CID 46662323
N-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 119615038
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047
3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide
CID 17452721
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 24547729
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 55694795

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide (CID 25479451) is N-[(1S)-1-(2-bromophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide is C[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The InChIKey is JDXYABALGFOQSU-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-12(13-6-2-4-8-15(13)20)21-17(24)10-11-23-16-9-5-3-7-14(16)18(25)22-19(23)26/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,25,26)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
N-[(1S)-1-(2-bromophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide has a molecular weight of 416.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide is sourced from PubChem (CID 25479451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).