N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carboxamide

C24H33N3O3 — CID 11538827

IUPACN-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carboxamide
SMILESCOCC(NC(=O)c1ccc2cc(OC3CCN(C(C)C)CC3)ccc2n1)C1CC1
InChIInChI=1S/C24H33N3O3/c1-16(2)27-12-10-19(11-13-27)30-20-7-9-21-18(14-20)6-8-22(25-21)24(28)26-23(15-29-3)17-4-5-17/h6-9,14,16-17,19,23H,4-5,10-13,15H2,1-3H3,(H,26,28)
InChIKeyZCVFHOKTYIWCJI-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.64
Rot. Bonds8

About N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carboxamide

N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carboxamide (PubChem CID 11538827) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carboxamide
PubChem CID11538827
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carboxamide
SMILESCOCC(NC(=O)c1ccc2cc(OC3CCN(C(C)C)CC3)ccc2n1)C1CC1
InChIInChI=1S/C24H33N3O3/c1-16(2)27-12-10-19(11-13-27)30-20-7-9-21-18(14-20)6-8-22(25-21)24(28)26-23(15-29-3)17-4-5-17/h6-9,14,16-17,19,23H,4-5,10-13,15H2,1-3H3,(H,26,28)
InChIKeyZCVFHOKTYIWCJI-UHFFFAOYSA-N
XLogP3.64
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 3025
CID 3025
CID 521951
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CID 11503379
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CID 11566918
CID 11566918
CID 11717680
CID 11717680
CID 44184899
CID 44184899
CID 2093012
CID 2093012
CID 71474171
CID 71474171
CID 206875
CID 206875
CID 5280289
CID 5280289
CID 44184902
CID 44184902

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carboxamide?
The IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carboxamide (CID 11538827) is N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carboxamide is COCC(NC(=O)c1ccc2cc(OC3CCN(C(C)C)CC3)ccc2n1)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carboxamide?
The InChIKey is ZCVFHOKTYIWCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-16(2)27-12-10-19(11-13-27)30-20-7-9-21-18(14-20)6-8-22(25-21)24(28)26-23(15-29-3)17-4-5-17/h6-9,14,16-17,19,23H,4-5,10-13,15H2,1-3H3,(H,26,28).
What are the key properties of N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carboxamide?
N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.64, 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-ylpiperidin-4-yl)oxyquinoline-2-carboxamide is sourced from PubChem (CID 11538827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).