N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]quinoline-4-carboxamide

C20H22N4O2 — CID 133312066

IUPACN-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]quinoline-4-carboxamide
SMILESCc1noc(C)c1C(C)Nc1cc(C(=O)NC2CC2)c2ccccc2n1
InChIInChI=1S/C20H22N4O2/c1-11(19-12(2)24-26-13(19)3)21-18-10-16(20(25)22-14-8-9-14)15-6-4-5-7-17(15)23-18/h4-7,10-11,14H,8-9H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyVMMNRHYVLWHUCU-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.90
Rot. Bonds5

About N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]quinoline-4-carboxamide

N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]quinoline-4-carboxamide (PubChem CID 133312066) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]quinoline-4-carboxamide
PubChem CID133312066
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]quinoline-4-carboxamide
SMILESCc1noc(C)c1C(C)Nc1cc(C(=O)NC2CC2)c2ccccc2n1
InChIInChI=1S/C20H22N4O2/c1-11(19-12(2)24-26-13(19)3)21-18-10-16(20(25)22-14-8-9-14)15-6-4-5-7-17(15)23-18/h4-7,10-11,14H,8-9H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyVMMNRHYVLWHUCU-UHFFFAOYSA-N
XLogP3.90
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]quinoline-4-carboxamide (CID 133312066) is N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]quinoline-4-carboxamide is Cc1noc(C)c1C(C)Nc1cc(C(=O)NC2CC2)c2ccccc2n1.
What is the InChIKey of N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]quinoline-4-carboxamide?
The InChIKey is VMMNRHYVLWHUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-11(19-12(2)24-26-13(19)3)21-18-10-16(20(25)22-14-8-9-14)15-6-4-5-7-17(15)23-18/h4-7,10-11,14H,8-9H2,1-3H3,(H,21,23)(H,22,25).
What are the key properties of N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]quinoline-4-carboxamide?
N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]quinoline-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]quinoline-4-carboxamide is sourced from PubChem (CID 133312066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).