2-propyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one

C16H19NO — CID 43668142

IUPAC2-propyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one
SMILESCCCc1cc(=O)c2ccc3c(c2[nH]1)CCCC3
InChIInChI=1S/C16H19NO/c1-2-5-12-10-15(18)14-9-8-11-6-3-4-7-13(11)16(14)17-12/h8-10H,2-7H2,1H3,(H,17,18)
InChIKeyCBNJZNDUYCUNQN-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.36
Rot. Bonds2

About 2-propyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one

2-propyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one (PubChem CID 43668142) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-propyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one.

Molecular Properties

Compound Name2-propyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one
PubChem CID43668142
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-propyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one
SMILESCCCc1cc(=O)c2ccc3c(c2[nH]1)CCCC3
InChIInChI=1S/C16H19NO/c1-2-5-12-10-15(18)14-9-8-11-6-3-4-7-13(11)16(14)17-12/h8-10H,2-7H2,1H3,(H,17,18)
InChIKeyCBNJZNDUYCUNQN-UHFFFAOYSA-N
XLogP3.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one?
The IUPAC name of 2-propyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one (CID 43668142) is 2-propyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one.
What is the SMILES notation for 2-propyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one?
The canonical SMILES for 2-propyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one is CCCc1cc(=O)c2ccc3c(c2[nH]1)CCCC3.
What is the InChIKey of 2-propyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one?
The InChIKey is CBNJZNDUYCUNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-5-12-10-15(18)14-9-8-11-6-3-4-7-13(11)16(14)17-12/h8-10H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-propyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one?
2-propyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one has a molecular weight of 241.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one is sourced from PubChem (CID 43668142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).