(2R)-3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol

C15H16N4O3 — CID 137417531

IUPAC(2R)-3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol
SMILESNc1cc(OC[C@H](O)CO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C15H16N4O3/c16-15-6-14(22-8-10(21)7-20)11-2-1-9(5-13(11)18-15)12-3-4-17-19-12/h1-6,10,20-21H,7-8H2,(H2,16,18)(H,17,19)/t10-/m1/s1
InChIKeyBXJBMTREGDXIJS-SNVBAGLBSA-N
MW300.32 g/mol
LogP0.94
Rot. Bonds5

About (2R)-3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol

(2R)-3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol (PubChem CID 137417531) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is (2R)-3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol
PubChem CID137417531
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name(2R)-3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol
SMILESNc1cc(OC[C@H](O)CO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C15H16N4O3/c16-15-6-14(22-8-10(21)7-20)11-2-1-9(5-13(11)18-15)12-3-4-17-19-12/h1-6,10,20-21H,7-8H2,(H2,16,18)(H,17,19)/t10-/m1/s1
InChIKeyBXJBMTREGDXIJS-SNVBAGLBSA-N
XLogP0.94
TPSA117.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-propan-2-yloxy-8-(1H-pyrazol-5-yl)quinolin-2-yl]morpholine
CID 156010337
2-[6-[(2-Amino-6,8-difluoroquinolin-3-yl)oxymethyl]-5-(1,5-dihydropyrazol-2-yl)indazol-1-yl]ethanol
CID 146639694
3-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-7-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]propan-1-ol
CID 46207267
1-[7-(3-methoxypropyl)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine
CID 57785466
7-Methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline
CID 70834962
7-Methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-ylpyrazol-1-yl)quinoline
CID 70834963
1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine
CID 70834965
1-[4-ethoxy-7-(3-methoxypropyl)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine
CID 70990385
1-[4-methoxy-7-(3-methoxypropyl)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine
CID 89756490
4-Methoxy-7-methyl-2-pyrazol-1-ylquinoline
CID 89977037
1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperidin-4-ol
CID 90400867
(4S)-4-methoxy-1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 90401017

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol?
The IUPAC name of (2R)-3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol (CID 137417531) is (2R)-3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol.
What is the SMILES notation for (2R)-3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol?
The canonical SMILES for (2R)-3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol is Nc1cc(OC[C@H](O)CO)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of (2R)-3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol?
The InChIKey is BXJBMTREGDXIJS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N4O3/c16-15-6-14(22-8-10(21)7-20)11-2-1-9(5-13(11)18-15)12-3-4-17-19-12/h1-6,10,20-21H,7-8H2,(H2,16,18)(H,17,19)/t10-/m1/s1.
What are the key properties of (2R)-3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol?
(2R)-3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol has a molecular weight of 300.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropane-1,2-diol is sourced from PubChem (CID 137417531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).