7-amino-4-(6-methyl-3-pyridinyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one

C17H18N2O — CID 122183620

IUPAC7-amino-4-(6-methyl-3-pyridinyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
SMILESCc1ccc(-c2cccc3c2CC(=O)C(N)CC3)cn1
InChIInChI=1S/C17H18N2O/c1-11-5-6-13(10-19-11)14-4-2-3-12-7-8-16(18)17(20)9-15(12)14/h2-6,10,16H,7-9,18H2,1H3
InChIKeyPGQWFILTWRKBHC-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.44
Rot. Bonds1

About 7-amino-4-(6-methyl-3-pyridinyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one

7-amino-4-(6-methyl-3-pyridinyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one (PubChem CID 122183620) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 7-amino-4-(6-methyl-3-pyridinyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one.

Molecular Properties

Compound Name7-amino-4-(6-methyl-3-pyridinyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
PubChem CID122183620
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name7-amino-4-(6-methyl-3-pyridinyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
SMILESCc1ccc(-c2cccc3c2CC(=O)C(N)CC3)cn1
InChIInChI=1S/C17H18N2O/c1-11-5-6-13(10-19-11)14-4-2-3-12-7-8-16(18)17(20)9-15(12)14/h2-6,10,16H,7-9,18H2,1H3
InChIKeyPGQWFILTWRKBHC-UHFFFAOYSA-N
XLogP2.44
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-(6-methyl-3-pyridinyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one?
The IUPAC name of 7-amino-4-(6-methyl-3-pyridinyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one (CID 122183620) is 7-amino-4-(6-methyl-3-pyridinyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one.
What is the SMILES notation for 7-amino-4-(6-methyl-3-pyridinyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one?
The canonical SMILES for 7-amino-4-(6-methyl-3-pyridinyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one is Cc1ccc(-c2cccc3c2CC(=O)C(N)CC3)cn1.
What is the InChIKey of 7-amino-4-(6-methyl-3-pyridinyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one?
The InChIKey is PGQWFILTWRKBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11-5-6-13(10-19-11)14-4-2-3-12-7-8-16(18)17(20)9-15(12)14/h2-6,10,16H,7-9,18H2,1H3.
What are the key properties of 7-amino-4-(6-methyl-3-pyridinyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one?
7-amino-4-(6-methyl-3-pyridinyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one has a molecular weight of 266.34 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-(6-methyl-3-pyridinyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one is sourced from PubChem (CID 122183620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).