5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinazolin-4-one

C24H23ClFN5O2 — CID 166830553

IUPAC5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinazolin-4-one
SMILESCc1nc2cc(N3CCOC(c4cnn(C)c4)C3)cc(-c3ccc(Cl)cc3F)c2c(=O)n1C
InChIInChI=1S/C24H23ClFN5O2/c1-14-28-21-10-17(31-6-7-33-22(13-31)15-11-27-29(2)12-15)9-19(23(21)24(32)30(14)3)18-5-4-16(25)8-20(18)26/h4-5,8-12,22H,6-7,13H2,1-3H3
InChIKeyUKAQEOXVWSMIFQ-UHFFFAOYSA-N
MW467.93 g/mol
LogP4.01
Rot. Bonds3

About 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinazolin-4-one

5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinazolin-4-one (PubChem CID 166830553) has the molecular formula C24H23ClFN5O2 and a molecular weight of 467.93 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinazolin-4-one.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinazolin-4-one
PubChem CID166830553
Molecular FormulaC24H23ClFN5O2
Molecular Weight467.93 g/mol
Exact Mass467.15
IUPAC Name5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinazolin-4-one
SMILESCc1nc2cc(N3CCOC(c4cnn(C)c4)C3)cc(-c3ccc(Cl)cc3F)c2c(=O)n1C
InChIInChI=1S/C24H23ClFN5O2/c1-14-28-21-10-17(31-6-7-33-22(13-31)15-11-27-29(2)12-15)9-19(23(21)24(32)30(14)3)18-5-4-16(25)8-20(18)26/h4-5,8-12,22H,6-7,13H2,1-3H3
InChIKeyUKAQEOXVWSMIFQ-UHFFFAOYSA-N
XLogP4.01
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinazolin-4-one?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinazolin-4-one (CID 166830553) is 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinazolin-4-one.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinazolin-4-one?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinazolin-4-one is Cc1nc2cc(N3CCOC(c4cnn(C)c4)C3)cc(-c3ccc(Cl)cc3F)c2c(=O)n1C.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinazolin-4-one?
The InChIKey is UKAQEOXVWSMIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O2/c1-14-28-21-10-17(31-6-7-33-22(13-31)15-11-27-29(2)12-15)9-19(23(21)24(32)30(14)3)18-5-4-16(25)8-20(18)26/h4-5,8-12,22H,6-7,13H2,1-3H3.
What are the key properties of 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinazolin-4-one?
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinazolin-4-one has a molecular weight of 467.93 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinazolin-4-one is sourced from PubChem (CID 166830553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).