3-(5-chloro-3-methoxy-2-pyridinyl)-6-fluoro-2-(piperazin-1-ylmethyl)quinazolin-4-one

C19H19ClFN5O2 — CID 178045060

IUPAC3-(5-chloro-3-methoxy-2-pyridinyl)-6-fluoro-2-(piperazin-1-ylmethyl)quinazolin-4-one
SMILESCOc1cc(Cl)cnc1-n1c(CN2CCNCC2)nc2ccc(F)cc2c1=O
InChIInChI=1S/C19H19ClFN5O2/c1-28-16-8-12(20)10-23-18(16)26-17(11-25-6-4-22-5-7-25)24-15-3-2-13(21)9-14(15)19(26)27/h2-3,8-10,22H,4-7,11H2,1H3
InChIKeyUVRRIOPGSYGWOM-UHFFFAOYSA-N
MW403.85 g/mol
LogP1.99
Rot. Bonds4

About 3-(5-chloro-3-methoxy-2-pyridinyl)-6-fluoro-2-(piperazin-1-ylmethyl)quinazolin-4-one

3-(5-chloro-3-methoxy-2-pyridinyl)-6-fluoro-2-(piperazin-1-ylmethyl)quinazolin-4-one (PubChem CID 178045060) has the molecular formula C19H19ClFN5O2 and a molecular weight of 403.85 g/mol. Its IUPAC name is 3-(5-chloro-3-methoxy-2-pyridinyl)-6-fluoro-2-(piperazin-1-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(5-chloro-3-methoxy-2-pyridinyl)-6-fluoro-2-(piperazin-1-ylmethyl)quinazolin-4-one
PubChem CID178045060
Molecular FormulaC19H19ClFN5O2
Molecular Weight403.85 g/mol
Exact Mass403.12
IUPAC Name3-(5-chloro-3-methoxy-2-pyridinyl)-6-fluoro-2-(piperazin-1-ylmethyl)quinazolin-4-one
SMILESCOc1cc(Cl)cnc1-n1c(CN2CCNCC2)nc2ccc(F)cc2c1=O
InChIInChI=1S/C19H19ClFN5O2/c1-28-16-8-12(20)10-23-18(16)26-17(11-25-6-4-22-5-7-25)24-15-3-2-13(21)9-14(15)19(26)27/h2-3,8-10,22H,4-7,11H2,1H3
InChIKeyUVRRIOPGSYGWOM-UHFFFAOYSA-N
XLogP1.99
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(5-chloro-3-methoxy-2-pyridinyl)-6-fluoro-2-(piperazin-1-ylmethyl)quinazolin-4-one with MolForge

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Related Compounds

7-amino-3-(4-chloro-2-ethoxyphenyl)-6-fluoro-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 178045105
3-(4-chloro-2-ethoxyphenyl)-6-phenyl-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 178045004
3-(2-butoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 178045110
3-(2,6-dichlorophenyl)-2-[(4-ethylpiperazin-1-yl)methyl]quinazolin-4-one;3-(2,6-dichlorophenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 143270235
4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline
CID 78901448
2-(azepan-1-ylmethyl)-3-(4-fluorophenyl)quinazolin-4-one
CID 991488
2-(1,4-diazepan-1-ylmethyl)-1-ethyl-5-fluorobenzimidazole;dihydrochloride
CID 119907069
3-(2,6-dichlorophenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-diazecin-4-one;3-(2,6-dichlorophenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 158062190
1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine
CID 117495714
5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole
CID 83967757
1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768
6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one
CID 162498372

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methoxy-2-pyridinyl)-6-fluoro-2-(piperazin-1-ylmethyl)quinazolin-4-one?
The IUPAC name of 3-(5-chloro-3-methoxy-2-pyridinyl)-6-fluoro-2-(piperazin-1-ylmethyl)quinazolin-4-one (CID 178045060) is 3-(5-chloro-3-methoxy-2-pyridinyl)-6-fluoro-2-(piperazin-1-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 3-(5-chloro-3-methoxy-2-pyridinyl)-6-fluoro-2-(piperazin-1-ylmethyl)quinazolin-4-one?
The canonical SMILES for 3-(5-chloro-3-methoxy-2-pyridinyl)-6-fluoro-2-(piperazin-1-ylmethyl)quinazolin-4-one is COc1cc(Cl)cnc1-n1c(CN2CCNCC2)nc2ccc(F)cc2c1=O.
What is the InChIKey of 3-(5-chloro-3-methoxy-2-pyridinyl)-6-fluoro-2-(piperazin-1-ylmethyl)quinazolin-4-one?
The InChIKey is UVRRIOPGSYGWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O2/c1-28-16-8-12(20)10-23-18(16)26-17(11-25-6-4-22-5-7-25)24-15-3-2-13(21)9-14(15)19(26)27/h2-3,8-10,22H,4-7,11H2,1H3.
What are the key properties of 3-(5-chloro-3-methoxy-2-pyridinyl)-6-fluoro-2-(piperazin-1-ylmethyl)quinazolin-4-one?
3-(5-chloro-3-methoxy-2-pyridinyl)-6-fluoro-2-(piperazin-1-ylmethyl)quinazolin-4-one has a molecular weight of 403.85 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methoxy-2-pyridinyl)-6-fluoro-2-(piperazin-1-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 178045060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).