3-(4-morpholin-4-ylphenyl)-6-quinolin-4-ylquinazolin-4-one

C27H22N4O2 — CID 133107911

IUPAC3-(4-morpholin-4-ylphenyl)-6-quinolin-4-ylquinazolin-4-one
SMILESO=c1c2cc(-c3ccnc4ccccc34)ccc2ncn1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C27H22N4O2/c32-27-24-17-19(22-11-12-28-25-4-2-1-3-23(22)25)5-10-26(24)29-18-31(27)21-8-6-20(7-9-21)30-13-15-33-16-14-30/h1-12,17-18H,13-16H2
InChIKeyMTDJGYWCNQTZLJ-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.44
Rot. Bonds3

About 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-ylquinazolin-4-one

3-(4-morpholin-4-ylphenyl)-6-quinolin-4-ylquinazolin-4-one (PubChem CID 133107911) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-ylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-morpholin-4-ylphenyl)-6-quinolin-4-ylquinazolin-4-one
PubChem CID133107911
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC Name3-(4-morpholin-4-ylphenyl)-6-quinolin-4-ylquinazolin-4-one
SMILESO=c1c2cc(-c3ccnc4ccccc34)ccc2ncn1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C27H22N4O2/c32-27-24-17-19(22-11-12-28-25-4-2-1-3-23(22)25)5-10-26(24)29-18-31(27)21-8-6-20(7-9-21)30-13-15-33-16-14-30/h1-12,17-18H,13-16H2
InChIKeyMTDJGYWCNQTZLJ-UHFFFAOYSA-N
XLogP4.44
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-ylquinazolin-4-one with MolForge

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Related Compounds

XR-9577
CID 15950351
N-(2-Methoxyethyl)-4-[(6-Pyridin-4-Ylquinazolin-2-Yl)amino]benzamide
CID 24891645
5-methyl-6-quinolin-5-yl-3~{H}-quinazolin-4-one
CID 135567453
(2,6-Dimethylmorpholin-4-yl)-(6-methyl-2-phenylquinolin-4-yl)methanone
CID 24980586
3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-morpholinophenyl)pyridin-2(1H)-one
CID 24879367
N-(2-methoxyethyl)-4-{[6-(4-methylpyridin-3-yl)quinazolin-2-yl]amino}benzamide
CID 24986335
N-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70692193
3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-8-naphthalen-1-ylquinazolin-4-one
CID 137631779
3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-8-phenylquinazolin-4-one
CID 137648679
6-(4-Morpholin-4-ylphenyl)-2-(2-quinolin-6-ylethyl)pyridazin-3-one
CID 168297259
[6-Methyl-2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 698716
N,N-dimethyl-4-(4-morpholin-4-ylquinazolin-6-yl)benzamide
CID 3232755

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-ylquinazolin-4-one?
The IUPAC name of 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-ylquinazolin-4-one (CID 133107911) is 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-ylquinazolin-4-one.
What is the SMILES notation for 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-ylquinazolin-4-one?
The canonical SMILES for 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-ylquinazolin-4-one is O=c1c2cc(-c3ccnc4ccccc34)ccc2ncn1-c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-ylquinazolin-4-one?
The InChIKey is MTDJGYWCNQTZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2/c32-27-24-17-19(22-11-12-28-25-4-2-1-3-23(22)25)5-10-26(24)29-18-31(27)21-8-6-20(7-9-21)30-13-15-33-16-14-30/h1-12,17-18H,13-16H2.
What are the key properties of 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-ylquinazolin-4-one?
3-(4-morpholin-4-ylphenyl)-6-quinolin-4-ylquinazolin-4-one has a molecular weight of 434.50 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-ylquinazolin-4-one is sourced from PubChem (CID 133107911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).