8-[1-(2-dimethylphosphorylanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one

C24H31N4O3P — CID 170753683

IUPAC8-[1-(2-dimethylphosphorylanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
SMILESCc1cc(C(C)Nc2ccccc2P(C)(C)=O)c2nc(N3CCOCC3)n(C)c(=O)c2c1
InChIInChI=1S/C24H31N4O3P/c1-16-14-18(17(2)25-20-8-6-7-9-21(20)32(4,5)30)22-19(15-16)23(29)27(3)24(26-22)28-10-12-31-13-11-28/h6-9,14-15,17,25H,10-13H2,1-5H3
InChIKeyCWSDPIVBVIDBAN-UHFFFAOYSA-N
MW454.51 g/mol
LogP3.50
Rot. Bonds5

About 8-[1-(2-dimethylphosphorylanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one

8-[1-(2-dimethylphosphorylanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one (PubChem CID 170753683) has the molecular formula C24H31N4O3P and a molecular weight of 454.51 g/mol. Its IUPAC name is 8-[1-(2-dimethylphosphorylanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one.

Molecular Properties

Compound Name8-[1-(2-dimethylphosphorylanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
PubChem CID170753683
Molecular FormulaC24H31N4O3P
Molecular Weight454.51 g/mol
Exact Mass454.21
IUPAC Name8-[1-(2-dimethylphosphorylanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
SMILESCc1cc(C(C)Nc2ccccc2P(C)(C)=O)c2nc(N3CCOCC3)n(C)c(=O)c2c1
InChIInChI=1S/C24H31N4O3P/c1-16-14-18(17(2)25-20-8-6-7-9-21(20)32(4,5)30)22-19(15-16)23(29)27(3)24(26-22)28-10-12-31-13-11-28/h6-9,14-15,17,25H,10-13H2,1-5H3
InChIKeyCWSDPIVBVIDBAN-UHFFFAOYSA-N
XLogP3.50
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[[(1S)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]benzoic acid
CID 170753200
8-[1-[2-(2-hydroxyacetyl)anilino]ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753581
8-[(1R)-1-(2-bromo-4-fluoroanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753248
4-[[(1R)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]thiophene-3-carboxylic acid
CID 170754055
5-chloro-2-[[(1R)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]benzoic acid
CID 170753327
2-[1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]-4-fluorobenzoic acid
CID 170753603
8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753277
8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170754048
2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic acid
CID 170753493
2-[1-[2-(4,4-difluoropiperidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]benzoic acid
CID 169212672
2-[1-[3,6-dimethyl-2-(4-methylpiperidin-1-yl)-4-oxoquinazolin-8-yl]ethylamino]benzoic acid
CID 170753388
2-[[(1R)-1-(6-methoxy-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]benzoic acid
CID 170753384

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-dimethylphosphorylanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one?
The IUPAC name of 8-[1-(2-dimethylphosphorylanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one (CID 170753683) is 8-[1-(2-dimethylphosphorylanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one.
What is the SMILES notation for 8-[1-(2-dimethylphosphorylanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one?
The canonical SMILES for 8-[1-(2-dimethylphosphorylanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one is Cc1cc(C(C)Nc2ccccc2P(C)(C)=O)c2nc(N3CCOCC3)n(C)c(=O)c2c1.
What is the InChIKey of 8-[1-(2-dimethylphosphorylanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one?
The InChIKey is CWSDPIVBVIDBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N4O3P/c1-16-14-18(17(2)25-20-8-6-7-9-21(20)32(4,5)30)22-19(15-16)23(29)27(3)24(26-22)28-10-12-31-13-11-28/h6-9,14-15,17,25H,10-13H2,1-5H3.
What are the key properties of 8-[1-(2-dimethylphosphorylanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one?
8-[1-(2-dimethylphosphorylanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one has a molecular weight of 454.51 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2-dimethylphosphorylanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one is sourced from PubChem (CID 170753683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).