N,3-dimethyl-2-(4-methylpiperazin-1-yl)-N-prop-2-ynylquinoline-4-carboxamide

C20H24N4O — CID 11348290

IUPACN,3-dimethyl-2-(4-methylpiperazin-1-yl)-N-prop-2-ynylquinoline-4-carboxamide
SMILESC#CCN(C)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12
InChIInChI=1S/C20H24N4O/c1-5-10-23(4)20(25)18-15(2)19(24-13-11-22(3)12-14-24)21-17-9-7-6-8-16(17)18/h1,6-9H,10-14H2,2-4H3
InChIKeyUKRQFMMGNWQTFI-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.00
Rot. Bonds3

About N,3-dimethyl-2-(4-methylpiperazin-1-yl)-N-prop-2-ynylquinoline-4-carboxamide

N,3-dimethyl-2-(4-methylpiperazin-1-yl)-N-prop-2-ynylquinoline-4-carboxamide (PubChem CID 11348290) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N,3-dimethyl-2-(4-methylpiperazin-1-yl)-N-prop-2-ynylquinoline-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-2-(4-methylpiperazin-1-yl)-N-prop-2-ynylquinoline-4-carboxamide
PubChem CID11348290
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN,3-dimethyl-2-(4-methylpiperazin-1-yl)-N-prop-2-ynylquinoline-4-carboxamide
SMILESC#CCN(C)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12
InChIInChI=1S/C20H24N4O/c1-5-10-23(4)20(25)18-15(2)19(24-13-11-22(3)12-14-24)21-17-9-7-6-8-16(17)18/h1,6-9H,10-14H2,2-4H3
InChIKeyUKRQFMMGNWQTFI-UHFFFAOYSA-N
XLogP2.00
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,3-dimethyl-2-(4-methylpiperazin-1-yl)-N-prop-2-ynylquinoline-4-carboxamide?
The IUPAC name of N,3-dimethyl-2-(4-methylpiperazin-1-yl)-N-prop-2-ynylquinoline-4-carboxamide (CID 11348290) is N,3-dimethyl-2-(4-methylpiperazin-1-yl)-N-prop-2-ynylquinoline-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-2-(4-methylpiperazin-1-yl)-N-prop-2-ynylquinoline-4-carboxamide?
The canonical SMILES for N,3-dimethyl-2-(4-methylpiperazin-1-yl)-N-prop-2-ynylquinoline-4-carboxamide is C#CCN(C)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12.
What is the InChIKey of N,3-dimethyl-2-(4-methylpiperazin-1-yl)-N-prop-2-ynylquinoline-4-carboxamide?
The InChIKey is UKRQFMMGNWQTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-5-10-23(4)20(25)18-15(2)19(24-13-11-22(3)12-14-24)21-17-9-7-6-8-16(17)18/h1,6-9H,10-14H2,2-4H3.
What are the key properties of N,3-dimethyl-2-(4-methylpiperazin-1-yl)-N-prop-2-ynylquinoline-4-carboxamide?
N,3-dimethyl-2-(4-methylpiperazin-1-yl)-N-prop-2-ynylquinoline-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(4-methylpiperazin-1-yl)-N-prop-2-ynylquinoline-4-carboxamide is sourced from PubChem (CID 11348290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).