(4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone

C19H21NO — CID 116598109

IUPAC(4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCCCc1ccc(C(=O)C2CCNc3ccccc32)cc1
InChIInChI=1S/C19H21NO/c1-2-5-14-8-10-15(11-9-14)19(21)17-12-13-20-18-7-4-3-6-16(17)18/h3-4,6-11,17,20H,2,5,12-13H2,1H3
InChIKeyKIRZDEBGNPHOSU-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.42
Rot. Bonds4

About (4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone

(4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 116598109) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID116598109
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCCCc1ccc(C(=O)C2CCNc3ccccc32)cc1
InChIInChI=1S/C19H21NO/c1-2-5-14-8-10-15(11-9-14)19(21)17-12-13-20-18-7-4-3-6-16(17)18/h3-4,6-11,17,20H,2,5,12-13H2,1H3
InChIKeyKIRZDEBGNPHOSU-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The IUPAC name of (4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 116598109) is (4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone.
What is the SMILES notation for (4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The canonical SMILES for (4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone is CCCc1ccc(C(=O)C2CCNc3ccccc32)cc1.
What is the InChIKey of (4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The InChIKey is KIRZDEBGNPHOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-5-14-8-10-15(11-9-14)19(21)17-12-13-20-18-7-4-3-6-16(17)18/h3-4,6-11,17,20H,2,5,12-13H2,1H3.
What are the key properties of (4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
(4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 279.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 116598109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).