N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinoline-2-carboxamide

C23H31N3O3 — CID 11703970

IUPACN-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinoline-2-carboxamide
SMILESCOCC(NC(=O)c1ccc2cc(OC3CCN(C(C)C)C3)ccc2n1)C1CC1
InChIInChI=1S/C23H31N3O3/c1-15(2)26-11-10-19(13-26)29-18-7-9-20-17(12-18)6-8-21(24-20)23(27)25-22(14-28-3)16-4-5-16/h6-9,12,15-16,19,22H,4-5,10-11,13-14H2,1-3H3,(H,25,27)
InChIKeyUKAADQVOUVEEOA-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.25
Rot. Bonds8

About N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinoline-2-carboxamide

N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinoline-2-carboxamide (PubChem CID 11703970) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinoline-2-carboxamide
PubChem CID11703970
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinoline-2-carboxamide
SMILESCOCC(NC(=O)c1ccc2cc(OC3CCN(C(C)C)C3)ccc2n1)C1CC1
InChIInChI=1S/C23H31N3O3/c1-15(2)26-11-10-19(13-26)29-18-7-9-20-17(12-18)6-8-21(24-20)23(27)25-22(14-28-3)16-4-5-16/h6-9,12,15-16,19,22H,4-5,10-11,13-14H2,1-3H3,(H,25,27)
InChIKeyUKAADQVOUVEEOA-UHFFFAOYSA-N
XLogP3.25
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinoline-2-carboxamide?
The IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinoline-2-carboxamide (CID 11703970) is N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinoline-2-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinoline-2-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinoline-2-carboxamide is COCC(NC(=O)c1ccc2cc(OC3CCN(C(C)C)C3)ccc2n1)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinoline-2-carboxamide?
The InChIKey is UKAADQVOUVEEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-15(2)26-11-10-19(13-26)29-18-7-9-20-17(12-18)6-8-21(24-20)23(27)25-22(14-28-3)16-4-5-16/h6-9,12,15-16,19,22H,4-5,10-11,13-14H2,1-3H3,(H,25,27).
What are the key properties of N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinoline-2-carboxamide?
N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinoline-2-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinoline-2-carboxamide is sourced from PubChem (CID 11703970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).