(4-aminoquinazolin-8-yl)-piperidin-1-ylmethanone

C14H16N4O — CID 175774339

IUPAC(4-aminoquinazolin-8-yl)-piperidin-1-ylmethanone
SMILESNc1ncnc2c(C(=O)N3CCCCC3)cccc12
InChIInChI=1S/C14H16N4O/c15-13-10-5-4-6-11(12(10)16-9-17-13)14(19)18-7-2-1-3-8-18/h4-6,9H,1-3,7-8H2,(H2,15,16,17)
InChIKeyVTEGSRBJMOLLNJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.84
Rot. Bonds1

About (4-aminoquinazolin-8-yl)-piperidin-1-ylmethanone

(4-aminoquinazolin-8-yl)-piperidin-1-ylmethanone (PubChem CID 175774339) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (4-aminoquinazolin-8-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-aminoquinazolin-8-yl)-piperidin-1-ylmethanone
PubChem CID175774339
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(4-aminoquinazolin-8-yl)-piperidin-1-ylmethanone
SMILESNc1ncnc2c(C(=O)N3CCCCC3)cccc12
InChIInChI=1S/C14H16N4O/c15-13-10-5-4-6-11(12(10)16-9-17-13)14(19)18-7-2-1-3-8-18/h4-6,9H,1-3,7-8H2,(H2,15,16,17)
InChIKeyVTEGSRBJMOLLNJ-UHFFFAOYSA-N
XLogP1.84
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
2-(piperidine-1-carbonyl)phenolate
CID 101121314
(2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 62650888
(2-aminoquinolin-4-yl)-(azepan-1-yl)methanone
CID 62154164
azetidin-1-yl-(5-chloroquinolin-8-yl)methanone
CID 166196760
2-iodo-3-(pyrrolidine-1-carbonyl)benzoic acid
CID 169449836
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone
CID 69269263
(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
CID 50765986
(1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone
CID 59534009
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-8-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-aminoquinazolin-8-yl)-piperidin-1-ylmethanone (CID 175774339) is (4-aminoquinazolin-8-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-aminoquinazolin-8-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-aminoquinazolin-8-yl)-piperidin-1-ylmethanone is Nc1ncnc2c(C(=O)N3CCCCC3)cccc12.
What is the InChIKey of (4-aminoquinazolin-8-yl)-piperidin-1-ylmethanone?
The InChIKey is VTEGSRBJMOLLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-13-10-5-4-6-11(12(10)16-9-17-13)14(19)18-7-2-1-3-8-18/h4-6,9H,1-3,7-8H2,(H2,15,16,17).
What are the key properties of (4-aminoquinazolin-8-yl)-piperidin-1-ylmethanone?
(4-aminoquinazolin-8-yl)-piperidin-1-ylmethanone has a molecular weight of 256.31 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-8-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 175774339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).