N-[4-fluoro-2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]pyridine-2-carboxamide

C23H18FN5O3 — CID 60560086

IUPACN-[4-fluoro-2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]pyridine-2-carboxamide
SMILESCc1cccc2c(=O)n(CC(=O)Nc3cc(F)ccc3NC(=O)c3ccccn3)cnc12
InChIInChI=1S/C23H18FN5O3/c1-14-5-4-6-16-21(14)26-13-29(23(16)32)12-20(30)27-19-11-15(24)8-9-17(19)28-22(31)18-7-2-3-10-25-18/h2-11,13H,12H2,1H3,(H,27,30)(H,28,31)
InChIKeyRBVAKNWOASHXBB-UHFFFAOYSA-N
MW431.43 g/mol
LogP3.13
Rot. Bonds5

About N-[4-fluoro-2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]pyridine-2-carboxamide

N-[4-fluoro-2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]pyridine-2-carboxamide (PubChem CID 60560086) has the molecular formula C23H18FN5O3 and a molecular weight of 431.43 g/mol. Its IUPAC name is N-[4-fluoro-2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]pyridine-2-carboxamide
PubChem CID60560086
Molecular FormulaC23H18FN5O3
Molecular Weight431.43 g/mol
Exact Mass431.14
IUPAC NameN-[4-fluoro-2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]pyridine-2-carboxamide
SMILESCc1cccc2c(=O)n(CC(=O)Nc3cc(F)ccc3NC(=O)c3ccccn3)cnc12
InChIInChI=1S/C23H18FN5O3/c1-14-5-4-6-16-21(14)26-13-29(23(16)32)12-20(30)27-19-11-15(24)8-9-17(19)28-22(31)18-7-2-3-10-25-18/h2-11,13H,12H2,1H3,(H,27,30)(H,28,31)
InChIKeyRBVAKNWOASHXBB-UHFFFAOYSA-N
XLogP3.13
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51265002
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655
2-(8-methyl-4-oxoquinazolin-3-yl)-N-quinolin-8-ylacetamide
CID 17443977
N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51264976
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 35030582
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 24655621
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-propoxyphenyl)acetamide
CID 27895346
N-(5-acetamido-2-chlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55916729
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27873306
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 46581294
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
N-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide
CID 55834013

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-fluoro-2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]pyridine-2-carboxamide (CID 60560086) is N-[4-fluoro-2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-fluoro-2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]pyridine-2-carboxamide is Cc1cccc2c(=O)n(CC(=O)Nc3cc(F)ccc3NC(=O)c3ccccn3)cnc12.
What is the InChIKey of N-[4-fluoro-2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]pyridine-2-carboxamide?
The InChIKey is RBVAKNWOASHXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O3/c1-14-5-4-6-16-21(14)26-13-29(23(16)32)12-20(30)27-19-11-15(24)8-9-17(19)28-22(31)18-7-2-3-10-25-18/h2-11,13H,12H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[4-fluoro-2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]pyridine-2-carboxamide?
N-[4-fluoro-2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]pyridine-2-carboxamide has a molecular weight of 431.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 60560086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).