(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxypropan-2-ol

C16H17N3O2 — CID 165020193

IUPAC(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxypropan-2-ol
SMILESC[C@@H](O)COc1cc(N)nc2cc(C3=CC=NC3)ccc12
InChIInChI=1S/C16H17N3O2/c1-10(20)9-21-15-7-16(17)19-14-6-11(2-3-13(14)15)12-4-5-18-8-12/h2-7,10,20H,8-9H2,1H3,(H2,17,19)/t10-/m1/s1
InChIKeyUNYPNIKCTHHEIB-SNVBAGLBSA-N
MW283.33 g/mol
LogP2.04
Rot. Bonds4

About (2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxypropan-2-ol

(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxypropan-2-ol (PubChem CID 165020193) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxypropan-2-ol
PubChem CID165020193
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxypropan-2-ol
SMILESC[C@@H](O)COc1cc(N)nc2cc(C3=CC=NC3)ccc12
InChIInChI=1S/C16H17N3O2/c1-10(20)9-21-15-7-16(17)19-14-6-11(2-3-13(14)15)12-4-5-18-8-12/h2-7,10,20H,8-9H2,1H3,(H2,17,19)/t10-/m1/s1
InChIKeyUNYPNIKCTHHEIB-SNVBAGLBSA-N
XLogP2.04
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxypropan-2-ol?
The IUPAC name of (2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxypropan-2-ol (CID 165020193) is (2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxypropan-2-ol.
What is the SMILES notation for (2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxypropan-2-ol?
The canonical SMILES for (2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxypropan-2-ol is C[C@@H](O)COc1cc(N)nc2cc(C3=CC=NC3)ccc12.
What is the InChIKey of (2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxypropan-2-ol?
The InChIKey is UNYPNIKCTHHEIB-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10(20)9-21-15-7-16(17)19-14-6-11(2-3-13(14)15)12-4-5-18-8-12/h2-7,10,20H,8-9H2,1H3,(H2,17,19)/t10-/m1/s1.
What are the key properties of (2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxypropan-2-ol?
(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxypropan-2-ol has a molecular weight of 283.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxypropan-2-ol is sourced from PubChem (CID 165020193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).