4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide

C19H23N3O3 — CID 118414683

IUPAC4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
SMILESCC(C)Oc1cc2c(OCC3[C@H]4CNC[C@@H]34)ccnc2cc1C(N)=O
InChIInChI=1S/C19H23N3O3/c1-10(2)25-18-6-11-16(5-12(18)19(20)23)22-4-3-17(11)24-9-15-13-7-21-8-14(13)15/h3-6,10,13-15,21H,7-9H2,1-2H3,(H2,20,23)/t13-,14+,15?
InChIKeyJBERUJXDAWSSMY-YIONKMFJSA-N
MW341.41 g/mol
LogP1.97
Rot. Bonds6

About 4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide

4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide (PubChem CID 118414683) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide.

Molecular Properties

Compound Name4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
PubChem CID118414683
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
SMILESCC(C)Oc1cc2c(OCC3[C@H]4CNC[C@@H]34)ccnc2cc1C(N)=O
InChIInChI=1S/C19H23N3O3/c1-10(2)25-18-6-11-16(5-12(18)19(20)23)22-4-3-17(11)24-9-15-13-7-21-8-14(13)15/h3-6,10,13-15,21H,7-9H2,1-2H3,(H2,20,23)/t13-,14+,15?
InChIKeyJBERUJXDAWSSMY-YIONKMFJSA-N
XLogP1.97
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide?
The IUPAC name of 4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide (CID 118414683) is 4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide.
What is the SMILES notation for 4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide?
The canonical SMILES for 4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide is CC(C)Oc1cc2c(OCC3[C@H]4CNC[C@@H]34)ccnc2cc1C(N)=O.
What is the InChIKey of 4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide?
The InChIKey is JBERUJXDAWSSMY-YIONKMFJSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-10(2)25-18-6-11-16(5-12(18)19(20)23)22-4-3-17(11)24-9-15-13-7-21-8-14(13)15/h3-6,10,13-15,21H,7-9H2,1-2H3,(H2,20,23)/t13-,14+,15?.
What are the key properties of 4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide?
4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide is sourced from PubChem (CID 118414683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).