[4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

C25H21ClN4O2 — CID 75511167

IUPAC[4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2nc(-c3ccc(Cl)cc3)c3ccccc3n2)cc1)N1CCOCC1
InChIInChI=1S/C25H21ClN4O2/c26-19-9-5-17(6-10-19)23-21-3-1-2-4-22(21)28-25(29-23)27-20-11-7-18(8-12-20)24(31)30-13-15-32-16-14-30/h1-12H,13-16H2,(H,27,28,29)
InChIKeyBQNHISHWGZDULP-UHFFFAOYSA-N
MW444.92 g/mol
LogP5.17
Rot. Bonds4

About [4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

[4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 75511167) has the molecular formula C25H21ClN4O2 and a molecular weight of 444.92 g/mol. Its IUPAC name is [4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
PubChem CID75511167
Molecular FormulaC25H21ClN4O2
Molecular Weight444.92 g/mol
Exact Mass444.14
IUPAC Name[4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2nc(-c3ccc(Cl)cc3)c3ccccc3n2)cc1)N1CCOCC1
InChIInChI=1S/C25H21ClN4O2/c26-19-9-5-17(6-10-19)23-21-3-1-2-4-22(21)28-25(29-23)27-20-11-7-18(8-12-20)24(31)30-13-15-32-16-14-30/h1-12H,13-16H2,(H,27,28,29)
InChIKeyBQNHISHWGZDULP-UHFFFAOYSA-N
XLogP5.17
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.92
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 1116310
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 58716722
methyl 4-[(4-phenylquinazolin-2-yl)amino]benzoate
CID 4547091
N-(4-chlorophenyl)-4-morpholin-4-ium-4-ylquinazolin-2-amine
CID 5096933
[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853517
N-[1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]morpholine-4-carboxamide
CID 58716601
[4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone
CID 85471593
[8-chloro-2,3-bis(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone
CID 24743219
4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide
CID 25071136
N-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide
CID 25069523
2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide
CID 4638984
(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
CID 868745

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 75511167) is [4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(Nc2nc(-c3ccc(Cl)cc3)c3ccccc3n2)cc1)N1CCOCC1.
What is the InChIKey of [4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is BQNHISHWGZDULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O2/c26-19-9-5-17(6-10-19)23-21-3-1-2-4-22(21)28-25(29-23)27-20-11-7-18(8-12-20)24(31)30-13-15-32-16-14-30/h1-12H,13-16H2,(H,27,28,29).
What are the key properties of [4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
[4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 444.92 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 75511167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).