3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide

C23H22BrN5O2 — CID 30292391

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide
SMILESCCc1ccc(Cn2nccc2NC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C23H22BrN5O2/c1-2-16-3-5-17(6-4-16)14-29-21(9-11-26-29)27-22(30)10-12-28-15-25-20-8-7-18(24)13-19(20)23(28)31/h3-9,11,13,15H,2,10,12,14H2,1H3,(H,27,30)
InChIKeyJGBHTDTVPODIFW-UHFFFAOYSA-N
MW480.37 g/mol
LogP3.99
Rot. Bonds7

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide (PubChem CID 30292391) has the molecular formula C23H22BrN5O2 and a molecular weight of 480.37 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide
PubChem CID30292391
Molecular FormulaC23H22BrN5O2
Molecular Weight480.37 g/mol
Exact Mass479.10
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide
SMILESCCc1ccc(Cn2nccc2NC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C23H22BrN5O2/c1-2-16-3-5-17(6-4-16)14-29-21(9-11-26-29)27-22(30)10-12-28-15-25-20-8-7-18(24)13-19(20)23(28)31/h3-9,11,13,15H,2,10,12,14H2,1H3,(H,27,30)
InChIKeyJGBHTDTVPODIFW-UHFFFAOYSA-N
XLogP3.99
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 112808828
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide
CID 30286634
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide
CID 34745509
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 31113625
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 30884886
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide
CID 46580979
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide
CID 86907615
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate
CID 55517103
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 43032526
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 31301273
N-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 119571304
N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 30288435

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide (CID 30292391) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide is CCc1ccc(Cn2nccc2NC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide?
The InChIKey is JGBHTDTVPODIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN5O2/c1-2-16-3-5-17(6-4-16)14-29-21(9-11-26-29)27-22(30)10-12-28-15-25-20-8-7-18(24)13-19(20)23(28)31/h3-9,11,13,15H,2,10,12,14H2,1H3,(H,27,30).
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide has a molecular weight of 480.37 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 30292391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).