4-chloro-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline

C19H16ClN — CID 129389639

IUPAC4-chloro-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline
SMILESClc1cc([C@@H]2CCc3ccccc3C2)nc2ccccc12
InChIInChI=1S/C19H16ClN/c20-17-12-19(21-18-8-4-3-7-16(17)18)15-10-9-13-5-1-2-6-14(13)11-15/h1-8,12,15H,9-11H2/t15-/m1/s1
InChIKeySRVXIKUVPAOPMM-OAHLLOKOSA-N
MW293.80 g/mol
LogP5.16
Rot. Bonds1

About 4-chloro-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline

4-chloro-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline (PubChem CID 129389639) has the molecular formula C19H16ClN and a molecular weight of 293.80 g/mol. Its IUPAC name is 4-chloro-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline.

Molecular Properties

Compound Name4-chloro-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline
PubChem CID129389639
Molecular FormulaC19H16ClN
Molecular Weight293.80 g/mol
Exact Mass293.10
IUPAC Name4-chloro-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline
SMILESClc1cc([C@@H]2CCc3ccccc3C2)nc2ccccc12
InChIInChI=1S/C19H16ClN/c20-17-12-19(21-18-8-4-3-7-16(17)18)15-10-9-13-5-1-2-6-14(13)11-15/h1-8,12,15H,9-11H2/t15-/m1/s1
InChIKeySRVXIKUVPAOPMM-OAHLLOKOSA-N
XLogP5.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.80
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline?
The IUPAC name of 4-chloro-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline (CID 129389639) is 4-chloro-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline.
What is the SMILES notation for 4-chloro-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline?
The canonical SMILES for 4-chloro-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline is Clc1cc([C@@H]2CCc3ccccc3C2)nc2ccccc12.
What is the InChIKey of 4-chloro-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline?
The InChIKey is SRVXIKUVPAOPMM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H16ClN/c20-17-12-19(21-18-8-4-3-7-16(17)18)15-10-9-13-5-1-2-6-14(13)11-15/h1-8,12,15H,9-11H2/t15-/m1/s1.
What are the key properties of 4-chloro-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline?
4-chloro-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline has a molecular weight of 293.80 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline is sourced from PubChem (CID 129389639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).