(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

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Related Compounds

N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide
CID 4523986
N-[3-[(3-cyano-6-ethylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide
CID 43815559
N-[2-[(3-cyano-6,8-dimethylquinolin-2-yl)amino]ethyl]cyclohexanecarboxamide
CID 3217041
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1450319
N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3221678
1-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-3-(3-methoxypropyl)thiourea
CID 3221575
1-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-(2,4-difluorophenyl)urea
CID 43815089
N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide
CID 3221729
N-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
CID 47380053
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide
CID 108541523
N-[2-(propylamino)ethyl]oxolane-2-carboxamide
CID 62658997
1-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 51685218

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).