N-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]quinoline-4-carboxamide

C25H27N3O3 — CID 112802310

IUPACN-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(C2CCCN2c2cc(C(=O)NC3CC3)c3ccccc3n2)c1
InChIInChI=1S/C25H27N3O3/c1-30-17-11-12-23(31-2)20(14-17)22-8-5-13-28(22)24-15-19(25(29)26-16-9-10-16)18-6-3-4-7-21(18)27-24/h3-4,6-7,11-12,14-16,22H,5,8-10,13H2,1-2H3,(H,26,29)
InChIKeyWDYLQJDFUOGIGH-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.49
Rot. Bonds6

About N-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]quinoline-4-carboxamide

N-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]quinoline-4-carboxamide (PubChem CID 112802310) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]quinoline-4-carboxamide
PubChem CID112802310
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(C2CCCN2c2cc(C(=O)NC3CC3)c3ccccc3n2)c1
InChIInChI=1S/C25H27N3O3/c1-30-17-11-12-23(31-2)20(14-17)22-8-5-13-28(22)24-15-19(25(29)26-16-9-10-16)18-6-3-4-7-21(18)27-24/h3-4,6-7,11-12,14-16,22H,5,8-10,13H2,1-2H3,(H,26,29)
InChIKeyWDYLQJDFUOGIGH-UHFFFAOYSA-N
XLogP4.49
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]quinoline-4-carboxamide (CID 112802310) is N-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]quinoline-4-carboxamide is COc1ccc(OC)c(C2CCCN2c2cc(C(=O)NC3CC3)c3ccccc3n2)c1.
What is the InChIKey of N-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]quinoline-4-carboxamide?
The InChIKey is WDYLQJDFUOGIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-30-17-11-12-23(31-2)20(14-17)22-8-5-13-28(22)24-15-19(25(29)26-16-9-10-16)18-6-3-4-7-21(18)27-24/h3-4,6-7,11-12,14-16,22H,5,8-10,13H2,1-2H3,(H,26,29).
What are the key properties of N-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]quinoline-4-carboxamide?
N-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]quinoline-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]quinoline-4-carboxamide is sourced from PubChem (CID 112802310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).