[4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone

C25H21BrN4O2 — CID 1116310

IUPAC[4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1)N1CCOCC1
InChIInChI=1S/C25H21BrN4O2/c26-19-8-11-22-21(16-19)23(17-4-2-1-3-5-17)29-25(28-22)27-20-9-6-18(7-10-20)24(31)30-12-14-32-15-13-30/h1-11,16H,12-15H2,(H,27,28,29)
InChIKeyAZMQRGBPSYCRDO-UHFFFAOYSA-N
MW489.37 g/mol
LogP5.28
Rot. Bonds4

About [4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone

[4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 1116310) has the molecular formula C25H21BrN4O2 and a molecular weight of 489.37 g/mol. Its IUPAC name is [4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
PubChem CID1116310
Molecular FormulaC25H21BrN4O2
Molecular Weight489.37 g/mol
Exact Mass488.08
IUPAC Name[4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1)N1CCOCC1
InChIInChI=1S/C25H21BrN4O2/c26-19-8-11-22-21(16-19)23(17-4-2-1-3-5-17)29-25(28-22)27-20-9-6-18(7-10-20)24(31)30-12-14-32-15-13-30/h1-11,16H,12-15H2,(H,27,28,29)
InChIKeyAZMQRGBPSYCRDO-UHFFFAOYSA-N
XLogP5.28
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.37
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 75511167
3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide
CID 4276068
[4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 69015649
1-[2-(6-bromo-4-phenylquinazolin-2-yl)hydrazinyl]-2-morpholin-4-ylethanol
CID 71945996
N-(2-benzoyl-4-bromophenyl)-4-[(6-chloro-4-phenylquinazolin-2-yl)amino]benzamide
CID 3393885
N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide
CID 3129496
[6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 2965405
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 100779117
methyl 4-[(4-phenylquinazolin-2-yl)amino]benzoate
CID 4547091
5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17172946
(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
CID 868745
4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 4767474

Frequently Asked Questions

What is the IUPAC name of [4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone (CID 1116310) is [4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1)N1CCOCC1.
What is the InChIKey of [4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is AZMQRGBPSYCRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN4O2/c26-19-8-11-22-21(16-19)23(17-4-2-1-3-5-17)29-25(28-22)27-20-9-6-18(7-10-20)24(31)30-12-14-32-15-13-30/h1-11,16H,12-15H2,(H,27,28,29).
What are the key properties of [4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone?
[4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 489.37 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1116310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).