N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide

C19H23FN4O — CID 166606135

IUPACN-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCCN(c2ncnc3ccc(F)cc23)C1
InChIInChI=1S/C19H23FN4O/c1-23(19(25)13-4-2-5-13)15-6-3-9-24(11-15)18-16-10-14(20)7-8-17(16)21-12-22-18/h7-8,10,12-13,15H,2-6,9,11H2,1H3
InChIKeyAGJLGVVRCVWPAT-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.00
Rot. Bonds3

About N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide

N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide (PubChem CID 166606135) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
PubChem CID166606135
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC NameN-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCCN(c2ncnc3ccc(F)cc23)C1
InChIInChI=1S/C19H23FN4O/c1-23(19(25)13-4-2-5-13)15-6-3-9-24(11-15)18-16-10-14(20)7-8-17(16)21-12-22-18/h7-8,10,12-13,15H,2-6,9,11H2,1H3
InChIKeyAGJLGVVRCVWPAT-UHFFFAOYSA-N
XLogP3.00
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166603435
N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166605983
N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)cyclopropanecarboxamide
CID 166602913
N-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 166602904
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166605987
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
CID 142582682
4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline
CID 133274317
6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline
CID 133275711
1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid
CID 21002829
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650857
N-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide
CID 166606013

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide?
The IUPAC name of N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide (CID 166606135) is N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide is CN(C(=O)C1CCC1)C1CCCN(c2ncnc3ccc(F)cc23)C1.
What is the InChIKey of N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide?
The InChIKey is AGJLGVVRCVWPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-23(19(25)13-4-2-5-13)15-6-3-9-24(11-15)18-16-10-14(20)7-8-17(16)21-12-22-18/h7-8,10,12-13,15H,2-6,9,11H2,1H3.
What are the key properties of N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide?
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 166606135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).