[6-[2-amino-7-(2H-pyrrol-3-yl)quinolin-3-yl]-2-pyridinyl]methanol

C19H16N4O — CID 157320438

IUPAC[6-[2-amino-7-(2H-pyrrol-3-yl)quinolin-3-yl]-2-pyridinyl]methanol
SMILESNc1nc2cc(C3=CC=NC3)ccc2cc1-c1cccc(CO)n1
InChIInChI=1S/C19H16N4O/c20-19-16(17-3-1-2-15(11-24)22-17)8-13-5-4-12(9-18(13)23-19)14-6-7-21-10-14/h1-9,24H,10-11H2,(H2,20,23)
InChIKeyBECFDAXMLFCIOO-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.84
Rot. Bonds3

About [6-[2-amino-7-(2H-pyrrol-3-yl)quinolin-3-yl]-2-pyridinyl]methanol

[6-[2-amino-7-(2H-pyrrol-3-yl)quinolin-3-yl]-2-pyridinyl]methanol (PubChem CID 157320438) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is [6-[2-amino-7-(2H-pyrrol-3-yl)quinolin-3-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[2-amino-7-(2H-pyrrol-3-yl)quinolin-3-yl]-2-pyridinyl]methanol
PubChem CID157320438
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name[6-[2-amino-7-(2H-pyrrol-3-yl)quinolin-3-yl]-2-pyridinyl]methanol
SMILESNc1nc2cc(C3=CC=NC3)ccc2cc1-c1cccc(CO)n1
InChIInChI=1S/C19H16N4O/c20-19-16(17-3-1-2-15(11-24)22-17)8-13-5-4-12(9-18(13)23-19)14-6-7-21-10-14/h1-9,24H,10-11H2,(H2,20,23)
InChIKeyBECFDAXMLFCIOO-UHFFFAOYSA-N
XLogP2.84
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[2-amino-7-(2H-pyrrol-3-yl)quinolin-3-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[2-amino-7-(2H-pyrrol-3-yl)quinolin-3-yl]-2-pyridinyl]methanol (CID 157320438) is [6-[2-amino-7-(2H-pyrrol-3-yl)quinolin-3-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[2-amino-7-(2H-pyrrol-3-yl)quinolin-3-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[2-amino-7-(2H-pyrrol-3-yl)quinolin-3-yl]-2-pyridinyl]methanol is Nc1nc2cc(C3=CC=NC3)ccc2cc1-c1cccc(CO)n1.
What is the InChIKey of [6-[2-amino-7-(2H-pyrrol-3-yl)quinolin-3-yl]-2-pyridinyl]methanol?
The InChIKey is BECFDAXMLFCIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c20-19-16(17-3-1-2-15(11-24)22-17)8-13-5-4-12(9-18(13)23-19)14-6-7-21-10-14/h1-9,24H,10-11H2,(H2,20,23).
What are the key properties of [6-[2-amino-7-(2H-pyrrol-3-yl)quinolin-3-yl]-2-pyridinyl]methanol?
[6-[2-amino-7-(2H-pyrrol-3-yl)quinolin-3-yl]-2-pyridinyl]methanol has a molecular weight of 316.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-amino-7-(2H-pyrrol-3-yl)quinolin-3-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 157320438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).