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

C18H25N5O — CID 71984950

IUPAC3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
SMILESCC(Cn1cncn1)NC(=O)CCN1c2ccccc2CCC1C
InChIInChI=1S/C18H25N5O/c1-14(11-22-13-19-12-20-22)21-18(24)9-10-23-15(2)7-8-16-5-3-4-6-17(16)23/h3-6,12-15H,7-11H2,1-2H3,(H,21,24)
InChIKeyGAFDXIDHLVPNBB-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.01
Rot. Bonds6

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

3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide (PubChem CID 71984950) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
PubChem CID71984950
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
SMILESCC(Cn1cncn1)NC(=O)CCN1c2ccccc2CCC1C
InChIInChI=1S/C18H25N5O/c1-14(11-22-13-19-12-20-22)21-18(24)9-10-23-15(2)7-8-16-5-3-4-6-17(16)23/h3-6,12-15H,7-11H2,1-2H3,(H,21,24)
InChIKeyGAFDXIDHLVPNBB-UHFFFAOYSA-N
XLogP2.01
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide?
The IUPAC name of 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide (CID 71984950) is 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide.
What is the SMILES notation for 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide?
The canonical SMILES for 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide is CC(Cn1cncn1)NC(=O)CCN1c2ccccc2CCC1C.
What is the InChIKey of 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide?
The InChIKey is GAFDXIDHLVPNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14(11-22-13-19-12-20-22)21-18(24)9-10-23-15(2)7-8-16-5-3-4-6-17(16)23/h3-6,12-15H,7-11H2,1-2H3,(H,21,24).
What are the key properties of 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide?
3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide has a molecular weight of 327.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide is sourced from PubChem (CID 71984950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).