4-(2-methoxypyrrolidin-1-yl)-2-methylquinoline-7-carboxamide

C16H19N3O2 — CID 174465207

IUPAC4-(2-methoxypyrrolidin-1-yl)-2-methylquinoline-7-carboxamide
SMILESCOC1CCCN1c1cc(C)nc2cc(C(N)=O)ccc12
InChIInChI=1S/C16H19N3O2/c1-10-8-14(19-7-3-4-15(19)21-2)12-6-5-11(16(17)20)9-13(12)18-10/h5-6,8-9,15H,3-4,7H2,1-2H3,(H2,17,20)
InChIKeyNHJCZUGHMVHDAC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.21
Rot. Bonds3

About 4-(2-methoxypyrrolidin-1-yl)-2-methylquinoline-7-carboxamide

4-(2-methoxypyrrolidin-1-yl)-2-methylquinoline-7-carboxamide (PubChem CID 174465207) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(2-methoxypyrrolidin-1-yl)-2-methylquinoline-7-carboxamide.

Molecular Properties

Compound Name4-(2-methoxypyrrolidin-1-yl)-2-methylquinoline-7-carboxamide
PubChem CID174465207
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-(2-methoxypyrrolidin-1-yl)-2-methylquinoline-7-carboxamide
SMILESCOC1CCCN1c1cc(C)nc2cc(C(N)=O)ccc12
InChIInChI=1S/C16H19N3O2/c1-10-8-14(19-7-3-4-15(19)21-2)12-6-5-11(16(17)20)9-13(12)18-10/h5-6,8-9,15H,3-4,7H2,1-2H3,(H2,17,20)
InChIKeyNHJCZUGHMVHDAC-UHFFFAOYSA-N
XLogP2.21
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypyrrolidin-1-yl)-2-methylquinoline-7-carboxamide?
The IUPAC name of 4-(2-methoxypyrrolidin-1-yl)-2-methylquinoline-7-carboxamide (CID 174465207) is 4-(2-methoxypyrrolidin-1-yl)-2-methylquinoline-7-carboxamide.
What is the SMILES notation for 4-(2-methoxypyrrolidin-1-yl)-2-methylquinoline-7-carboxamide?
The canonical SMILES for 4-(2-methoxypyrrolidin-1-yl)-2-methylquinoline-7-carboxamide is COC1CCCN1c1cc(C)nc2cc(C(N)=O)ccc12.
What is the InChIKey of 4-(2-methoxypyrrolidin-1-yl)-2-methylquinoline-7-carboxamide?
The InChIKey is NHJCZUGHMVHDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-8-14(19-7-3-4-15(19)21-2)12-6-5-11(16(17)20)9-13(12)18-10/h5-6,8-9,15H,3-4,7H2,1-2H3,(H2,17,20).
What are the key properties of 4-(2-methoxypyrrolidin-1-yl)-2-methylquinoline-7-carboxamide?
4-(2-methoxypyrrolidin-1-yl)-2-methylquinoline-7-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypyrrolidin-1-yl)-2-methylquinoline-7-carboxamide is sourced from PubChem (CID 174465207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).