N-[3-[(3-cyano-7-methylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide

C19H22N4O2 — CID 649378

IUPACN-[3-[(3-cyano-7-methylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide
SMILESCc1ccc2cc(C#N)c(NCCCNC(=O)C3CCCO3)nc2c1
InChIInChI=1S/C19H22N4O2/c1-13-5-6-14-11-15(12-20)18(23-16(14)10-13)21-7-3-8-22-19(24)17-4-2-9-25-17/h5-6,10-11,17H,2-4,7-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyDQDJQMVWZVEJBV-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.51
Rot. Bonds6

About N-[3-[(3-cyano-7-methylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide

N-[3-[(3-cyano-7-methylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide (PubChem CID 649378) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[3-[(3-cyano-7-methylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-cyano-7-methylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide
PubChem CID649378
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[3-[(3-cyano-7-methylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide
SMILESCc1ccc2cc(C#N)c(NCCCNC(=O)C3CCCO3)nc2c1
InChIInChI=1S/C19H22N4O2/c1-13-5-6-14-11-15(12-20)18(23-16(14)10-13)21-7-3-8-22-19(24)17-4-2-9-25-17/h5-6,10-11,17H,2-4,7-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyDQDJQMVWZVEJBV-UHFFFAOYSA-N
XLogP2.51
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 652067
CID 652067
CID 656052
CID 656052
CID 15999108
CID 15999108
CID 130274669
CID 130274669
CID 90054810
CID 90054810
CID 53140620
CID 53140620
CID 53010776
CID 53010776
CID 97574547
CID 97574547
CID 22019010
CID 22019010
CID 59302736
CID 59302736
CID 68878142
CID 68878142
CID 70991789
CID 70991789

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyano-7-methylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[(3-cyano-7-methylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide (CID 649378) is N-[3-[(3-cyano-7-methylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[(3-cyano-7-methylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[(3-cyano-7-methylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide is Cc1ccc2cc(C#N)c(NCCCNC(=O)C3CCCO3)nc2c1.
What is the InChIKey of N-[3-[(3-cyano-7-methylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide?
The InChIKey is DQDJQMVWZVEJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-5-6-14-11-15(12-20)18(23-16(14)10-13)21-7-3-8-22-19(24)17-4-2-9-25-17/h5-6,10-11,17H,2-4,7-9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[(3-cyano-7-methylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide?
N-[3-[(3-cyano-7-methylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyano-7-methylquinolin-2-yl)amino]propyl]oxolane-2-carboxamide is sourced from PubChem (CID 649378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).