(4-aminoquinolin-2-yl)-(cyclohepten-1-yl)methanone

C17H18N2O — CID 106655642

IUPAC(4-aminoquinolin-2-yl)-(cyclohepten-1-yl)methanone
SMILESNc1cc(C(=O)C2=CCCCCC2)nc2ccccc12
InChIInChI=1S/C17H18N2O/c18-14-11-16(19-15-10-6-5-9-13(14)15)17(20)12-7-3-1-2-4-8-12/h5-7,9-11H,1-4,8H2,(H2,18,19)
InChIKeyONFZALYNHYRBOV-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.89
Rot. Bonds2

About (4-aminoquinolin-2-yl)-(cyclohepten-1-yl)methanone

(4-aminoquinolin-2-yl)-(cyclohepten-1-yl)methanone (PubChem CID 106655642) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (4-aminoquinolin-2-yl)-(cyclohepten-1-yl)methanone.

Molecular Properties

Compound Name(4-aminoquinolin-2-yl)-(cyclohepten-1-yl)methanone
PubChem CID106655642
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(4-aminoquinolin-2-yl)-(cyclohepten-1-yl)methanone
SMILESNc1cc(C(=O)C2=CCCCCC2)nc2ccccc12
InChIInChI=1S/C17H18N2O/c18-14-11-16(19-15-10-6-5-9-13(14)15)17(20)12-7-3-1-2-4-8-12/h5-7,9-11H,1-4,8H2,(H2,18,19)
InChIKeyONFZALYNHYRBOV-UHFFFAOYSA-N
XLogP3.89
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-aminoquinolin-2-yl)-(cyclohepten-1-yl)methanone?
The IUPAC name of (4-aminoquinolin-2-yl)-(cyclohepten-1-yl)methanone (CID 106655642) is (4-aminoquinolin-2-yl)-(cyclohepten-1-yl)methanone.
What is the SMILES notation for (4-aminoquinolin-2-yl)-(cyclohepten-1-yl)methanone?
The canonical SMILES for (4-aminoquinolin-2-yl)-(cyclohepten-1-yl)methanone is Nc1cc(C(=O)C2=CCCCCC2)nc2ccccc12.
What is the InChIKey of (4-aminoquinolin-2-yl)-(cyclohepten-1-yl)methanone?
The InChIKey is ONFZALYNHYRBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-14-11-16(19-15-10-6-5-9-13(14)15)17(20)12-7-3-1-2-4-8-12/h5-7,9-11H,1-4,8H2,(H2,18,19).
What are the key properties of (4-aminoquinolin-2-yl)-(cyclohepten-1-yl)methanone?
(4-aminoquinolin-2-yl)-(cyclohepten-1-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinolin-2-yl)-(cyclohepten-1-yl)methanone is sourced from PubChem (CID 106655642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).