N-[(1-phenyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide

C19H22N2O — CID 122188351

IUPACN-[(1-phenyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCc2ccccc2N1c1ccccc1
InChIInChI=1S/C19H22N2O/c1-2-19(22)20-14-17-13-12-15-8-6-7-11-18(15)21(17)16-9-4-3-5-10-16/h3-11,17H,2,12-14H2,1H3,(H,20,22)
InChIKeyDPTQVDASXWJJCU-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.67
Rot. Bonds4

About N-[(1-phenyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide

N-[(1-phenyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide (PubChem CID 122188351) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(1-phenyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(1-phenyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
PubChem CID122188351
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[(1-phenyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCc2ccccc2N1c1ccccc1
InChIInChI=1S/C19H22N2O/c1-2-19(22)20-14-17-13-12-15-8-6-7-11-18(15)21(17)16-9-4-3-5-10-16/h3-11,17H,2,12-14H2,1H3,(H,20,22)
InChIKeyDPTQVDASXWJJCU-UHFFFAOYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
The IUPAC name of N-[(1-phenyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide (CID 122188351) is N-[(1-phenyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(1-phenyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
The canonical SMILES for N-[(1-phenyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide is CCC(=O)NCC1CCc2ccccc2N1c1ccccc1.
What is the InChIKey of N-[(1-phenyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
The InChIKey is DPTQVDASXWJJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-19(22)20-14-17-13-12-15-8-6-7-11-18(15)21(17)16-9-4-3-5-10-16/h3-11,17H,2,12-14H2,1H3,(H,20,22).
What are the key properties of N-[(1-phenyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
N-[(1-phenyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide has a molecular weight of 294.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide is sourced from PubChem (CID 122188351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).