(2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide

C19H22N4O2 — CID 7434796

IUPAC(2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide
SMILESCc1cc(C)c2cc(C#N)c(NCCNC(=O)[C@H]3CCCO3)nc2c1
InChIInChI=1S/C19H22N4O2/c1-12-8-13(2)15-10-14(11-20)18(23-16(15)9-12)21-5-6-22-19(24)17-4-3-7-25-17/h8-10,17H,3-7H2,1-2H3,(H,21,23)(H,22,24)/t17-/m1/s1
InChIKeyBZKVBGCXZJAQJA-QGZVFWFLSA-N
MW338.41 g/mol
LogP2.43
Rot. Bonds5

About (2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide

(2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide (PubChem CID 7434796) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide
PubChem CID7434796
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide
SMILESCc1cc(C)c2cc(C#N)c(NCCNC(=O)[C@H]3CCCO3)nc2c1
InChIInChI=1S/C19H22N4O2/c1-12-8-13(2)15-10-14(11-20)18(23-16(15)9-12)21-5-6-22-19(24)17-4-3-7-25-17/h8-10,17H,3-7H2,1-2H3,(H,21,23)(H,22,24)/t17-/m1/s1
InChIKeyBZKVBGCXZJAQJA-QGZVFWFLSA-N
XLogP2.43
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide (CID 7434796) is (2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide is Cc1cc(C)c2cc(C#N)c(NCCNC(=O)[C@H]3CCCO3)nc2c1.
What is the InChIKey of (2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide?
The InChIKey is BZKVBGCXZJAQJA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-8-13(2)15-10-14(11-20)18(23-16(15)9-12)21-5-6-22-19(24)17-4-3-7-25-17/h8-10,17H,3-7H2,1-2H3,(H,21,23)(H,22,24)/t17-/m1/s1.
What are the key properties of (2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide?
(2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 7434796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).