3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-butan-2-ylpropanamide

C24H29BrN4O2 — CID 83281449

IUPAC3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCN(CCOC)c1nc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C24H29BrN4O2/c1-4-17(2)26-22(30)12-13-29(14-15-31-3)24-20-10-5-6-11-21(20)27-23(28-24)18-8-7-9-19(25)16-18/h5-11,16-17H,4,12-15H2,1-3H3,(H,26,30)
InChIKeyDUWZYOWYWVBTIB-UHFFFAOYSA-N
MW485.43 g/mol
LogP4.82
Rot. Bonds10

About 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-butan-2-ylpropanamide

3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-butan-2-ylpropanamide (PubChem CID 83281449) has the molecular formula C24H29BrN4O2 and a molecular weight of 485.43 g/mol. Its IUPAC name is 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-butan-2-ylpropanamide
PubChem CID83281449
Molecular FormulaC24H29BrN4O2
Molecular Weight485.43 g/mol
Exact Mass484.15
IUPAC Name3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCN(CCOC)c1nc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C24H29BrN4O2/c1-4-17(2)26-22(30)12-13-29(14-15-31-3)24-20-10-5-6-11-21(20)27-23(28-24)18-8-7-9-19(25)16-18/h5-11,16-17H,4,12-15H2,1-3H3,(H,26,30)
InChIKeyDUWZYOWYWVBTIB-UHFFFAOYSA-N
XLogP4.82
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 42809506
N-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide
CID 93140373
N-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide
CID 93299995
3-[benzyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-N-(1-phenylethyl)propanamide
CID 24718265
3-[[8-bromo-2-(3-bromophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]propanoic acid
CID 169157790
3-[[2-(3-bromophenyl)-8-hydroxyquinazolin-4-yl]-(2-phenylethyl)amino]propanoic acid
CID 169157770
3-[[2-(3-bromophenyl)-8-fluoroquinazolin-4-yl]-(2-phenylethyl)amino]propanoic acid
CID 169157810
N-(3-fluorophenyl)-3-[2-methoxyethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide
CID 42809643
N-(furan-2-ylmethyl)-3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide
CID 42809443
N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide
CID 93300017
4-(3-bromophenoxy)-N-butan-2-ylbutanamide
CID 112759657
3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide
CID 93300051

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-butan-2-ylpropanamide?
The IUPAC name of 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-butan-2-ylpropanamide (CID 83281449) is 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCN(CCOC)c1nc(-c2cccc(Br)c2)nc2ccccc12.
What is the InChIKey of 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-butan-2-ylpropanamide?
The InChIKey is DUWZYOWYWVBTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN4O2/c1-4-17(2)26-22(30)12-13-29(14-15-31-3)24-20-10-5-6-11-21(20)27-23(28-24)18-8-7-9-19(25)16-18/h5-11,16-17H,4,12-15H2,1-3H3,(H,26,30).
What are the key properties of 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-butan-2-ylpropanamide?
3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-butan-2-ylpropanamide has a molecular weight of 485.43 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 83281449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).