N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-5,6,7,8-tetrahydroquinoline-8-carboxamide

C21H22N2O — CID 119035768

IUPACN-[(4-methylphenyl)methyl]-N-prop-2-ynyl-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESC#CCN(Cc1ccc(C)cc1)C(=O)C1CCCc2cccnc21
InChIInChI=1S/C21H22N2O/c1-3-14-23(15-17-11-9-16(2)10-12-17)21(24)19-8-4-6-18-7-5-13-22-20(18)19/h1,5,7,9-13,19H,4,6,8,14-15H2,2H3
InChIKeyWOQPZDZPUPISMH-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.47
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-5,6,7,8-tetrahydroquinoline-8-carboxamide

N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-5,6,7,8-tetrahydroquinoline-8-carboxamide (PubChem CID 119035768) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-5,6,7,8-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N-prop-2-ynyl-5,6,7,8-tetrahydroquinoline-8-carboxamide
PubChem CID119035768
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-[(4-methylphenyl)methyl]-N-prop-2-ynyl-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESC#CCN(Cc1ccc(C)cc1)C(=O)C1CCCc2cccnc21
InChIInChI=1S/C21H22N2O/c1-3-14-23(15-17-11-9-16(2)10-12-17)21(24)19-8-4-6-18-7-5-13-22-20(18)19/h1,5,7,9-13,19H,4,6,8,14-15H2,2H3
InChIKeyWOQPZDZPUPISMH-UHFFFAOYSA-N
XLogP3.47
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-5,6,7,8-tetrahydroquinoline-8-carboxamide (CID 119035768) is N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-5,6,7,8-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-5,6,7,8-tetrahydroquinoline-8-carboxamide is C#CCN(Cc1ccc(C)cc1)C(=O)C1CCCc2cccnc21.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The InChIKey is WOQPZDZPUPISMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-3-14-23(15-17-11-9-16(2)10-12-17)21(24)19-8-4-6-18-7-5-13-22-20(18)19/h1,5,7,9-13,19H,4,6,8,14-15H2,2H3.
What are the key properties of N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-5,6,7,8-tetrahydroquinoline-8-carboxamide?
N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-5,6,7,8-tetrahydroquinoline-8-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-5,6,7,8-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 119035768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).