7-chloro-2,3,4a,8a-tetrahydro-1H-quinolin-4-one

C9H10ClNO — CID 70117710

IUPAC7-chloro-2,3,4a,8a-tetrahydro-1H-quinolin-4-one
SMILESO=C1CCNC2C=C(Cl)C=CC12
InChIInChI=1S/C9H10ClNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-2,5,7-8,11H,3-4H2
InChIKeyJRPVMQUVOCTXRX-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.23
Rot. Bonds

About 7-chloro-2,3,4a,8a-tetrahydro-1H-quinolin-4-one

7-chloro-2,3,4a,8a-tetrahydro-1H-quinolin-4-one (PubChem CID 70117710) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 7-chloro-2,3,4a,8a-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2,3,4a,8a-tetrahydro-1H-quinolin-4-one
PubChem CID70117710
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name7-chloro-2,3,4a,8a-tetrahydro-1H-quinolin-4-one
SMILESO=C1CCNC2C=C(Cl)C=CC12
InChIInChI=1S/C9H10ClNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-2,5,7-8,11H,3-4H2
InChIKeyJRPVMQUVOCTXRX-UHFFFAOYSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3,4a,8a-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 7-chloro-2,3,4a,8a-tetrahydro-1H-quinolin-4-one (CID 70117710) is 7-chloro-2,3,4a,8a-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 7-chloro-2,3,4a,8a-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 7-chloro-2,3,4a,8a-tetrahydro-1H-quinolin-4-one is O=C1CCNC2C=C(Cl)C=CC12.
What is the InChIKey of 7-chloro-2,3,4a,8a-tetrahydro-1H-quinolin-4-one?
The InChIKey is JRPVMQUVOCTXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-2,5,7-8,11H,3-4H2.
What are the key properties of 7-chloro-2,3,4a,8a-tetrahydro-1H-quinolin-4-one?
7-chloro-2,3,4a,8a-tetrahydro-1H-quinolin-4-one has a molecular weight of 183.64 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3,4a,8a-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 70117710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).