4-[(3R)-piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide

C18H23N3O3 — CID 126573681

IUPAC4-[(3R)-piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide
SMILESCC(C)Oc1cc2c(O[C@@H]3CCCNC3)ccnc2cc1C(N)=O
InChIInChI=1S/C18H23N3O3/c1-11(2)23-17-9-13-15(8-14(17)18(19)22)21-7-5-16(13)24-12-4-3-6-20-10-12/h5,7-9,11-12,20H,3-4,6,10H2,1-2H3,(H2,19,22)/t12-/m1/s1
InChIKeyWFDCRJQKOODGGI-GFCCVEGCSA-N
MW329.40 g/mol
LogP2.25
Rot. Bonds5

About 4-[(3R)-piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide

4-[(3R)-piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide (PubChem CID 126573681) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[(3R)-piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide.

Molecular Properties

Compound Name4-[(3R)-piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide
PubChem CID126573681
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-[(3R)-piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide
SMILESCC(C)Oc1cc2c(O[C@@H]3CCCNC3)ccnc2cc1C(N)=O
InChIInChI=1S/C18H23N3O3/c1-11(2)23-17-9-13-15(8-14(17)18(19)22)21-7-5-16(13)24-12-4-3-6-20-10-12/h5,7-9,11-12,20H,3-4,6,10H2,1-2H3,(H2,19,22)/t12-/m1/s1
InChIKeyWFDCRJQKOODGGI-GFCCVEGCSA-N
XLogP2.25
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3R)-piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide?
The IUPAC name of 4-[(3R)-piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide (CID 126573681) is 4-[(3R)-piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide.
What is the SMILES notation for 4-[(3R)-piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide?
The canonical SMILES for 4-[(3R)-piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide is CC(C)Oc1cc2c(O[C@@H]3CCCNC3)ccnc2cc1C(N)=O.
What is the InChIKey of 4-[(3R)-piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide?
The InChIKey is WFDCRJQKOODGGI-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11(2)23-17-9-13-15(8-14(17)18(19)22)21-7-5-16(13)24-12-4-3-6-20-10-12/h5,7-9,11-12,20H,3-4,6,10H2,1-2H3,(H2,19,22)/t12-/m1/s1.
What are the key properties of 4-[(3R)-piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide?
4-[(3R)-piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide is sourced from PubChem (CID 126573681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).