4-[(6-bromoquinazolin-2-yl)amino]-2-propan-2-ylbenzamide

C18H17BrN4O — CID 142782521

IUPAC4-[(6-bromoquinazolin-2-yl)amino]-2-propan-2-ylbenzamide
SMILESCC(C)c1cc(Nc2ncc3cc(Br)ccc3n2)ccc1C(N)=O
InChIInChI=1S/C18H17BrN4O/c1-10(2)15-8-13(4-5-14(15)17(20)24)22-18-21-9-11-7-12(19)3-6-16(11)23-18/h3-10H,1-2H3,(H2,20,24)(H,21,22,23)
InChIKeyBPMIWRNVFLJCEA-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.36
Rot. Bonds4

About 4-[(6-bromoquinazolin-2-yl)amino]-2-propan-2-ylbenzamide

4-[(6-bromoquinazolin-2-yl)amino]-2-propan-2-ylbenzamide (PubChem CID 142782521) has the molecular formula C18H17BrN4O and a molecular weight of 385.27 g/mol. Its IUPAC name is 4-[(6-bromoquinazolin-2-yl)amino]-2-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(6-bromoquinazolin-2-yl)amino]-2-propan-2-ylbenzamide
PubChem CID142782521
Molecular FormulaC18H17BrN4O
Molecular Weight385.27 g/mol
Exact Mass384.06
IUPAC Name4-[(6-bromoquinazolin-2-yl)amino]-2-propan-2-ylbenzamide
SMILESCC(C)c1cc(Nc2ncc3cc(Br)ccc3n2)ccc1C(N)=O
InChIInChI=1S/C18H17BrN4O/c1-10(2)15-8-13(4-5-14(15)17(20)24)22-18-21-9-11-7-12(19)3-6-16(11)23-18/h3-10H,1-2H3,(H2,20,24)(H,21,22,23)
InChIKeyBPMIWRNVFLJCEA-UHFFFAOYSA-N
XLogP4.36
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine
CID 155777536
2-(4-bromoanilino)quinazolin-6-ol
CID 59254881
6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride
CID 142637448
2-(1-aminoethyl)-4-bromobenzamide
CID 70087597
4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 24986332
4-bromo-N-methyl-2-propan-2-ylbenzamide
CID 146035002
1-(7-bromoquinazolin-2-yl)-3-propan-2-ylurea
CID 156770203
5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 140559964
2-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]acetic acid
CID 141216292
6-bromo-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine;hydrochloride
CID 141258624
N-(3-bromophenyl)-6-nitroquinazolin-2-amine
CID 142646683
2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
CID 46185385

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromoquinazolin-2-yl)amino]-2-propan-2-ylbenzamide?
The IUPAC name of 4-[(6-bromoquinazolin-2-yl)amino]-2-propan-2-ylbenzamide (CID 142782521) is 4-[(6-bromoquinazolin-2-yl)amino]-2-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(6-bromoquinazolin-2-yl)amino]-2-propan-2-ylbenzamide?
The canonical SMILES for 4-[(6-bromoquinazolin-2-yl)amino]-2-propan-2-ylbenzamide is CC(C)c1cc(Nc2ncc3cc(Br)ccc3n2)ccc1C(N)=O.
What is the InChIKey of 4-[(6-bromoquinazolin-2-yl)amino]-2-propan-2-ylbenzamide?
The InChIKey is BPMIWRNVFLJCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O/c1-10(2)15-8-13(4-5-14(15)17(20)24)22-18-21-9-11-7-12(19)3-6-16(11)23-18/h3-10H,1-2H3,(H2,20,24)(H,21,22,23).
What are the key properties of 4-[(6-bromoquinazolin-2-yl)amino]-2-propan-2-ylbenzamide?
4-[(6-bromoquinazolin-2-yl)amino]-2-propan-2-ylbenzamide has a molecular weight of 385.27 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromoquinazolin-2-yl)amino]-2-propan-2-ylbenzamide is sourced from PubChem (CID 142782521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).