[2-(cyclopropylmethylamino)quinolin-3-yl]methanol

C14H16N2O — CID 71862553

IUPAC[2-(cyclopropylmethylamino)quinolin-3-yl]methanol
SMILESOCc1cc2ccccc2nc1NCC1CC1
InChIInChI=1S/C14H16N2O/c17-9-12-7-11-3-1-2-4-13(11)16-14(12)15-8-10-5-6-10/h1-4,7,10,17H,5-6,8-9H2,(H,15,16)
InChIKeyQXDJMHLQPZEDJC-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.55
Rot. Bonds4

About [2-(cyclopropylmethylamino)quinolin-3-yl]methanol

[2-(cyclopropylmethylamino)quinolin-3-yl]methanol (PubChem CID 71862553) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is [2-(cyclopropylmethylamino)quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-(cyclopropylmethylamino)quinolin-3-yl]methanol
PubChem CID71862553
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name[2-(cyclopropylmethylamino)quinolin-3-yl]methanol
SMILESOCc1cc2ccccc2nc1NCC1CC1
InChIInChI=1S/C14H16N2O/c17-9-12-7-11-3-1-2-4-13(11)16-14(12)15-8-10-5-6-10/h1-4,7,10,17H,5-6,8-9H2,(H,15,16)
InChIKeyQXDJMHLQPZEDJC-UHFFFAOYSA-N
XLogP2.55
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethylamino)quinolin-3-yl]methanol?
The IUPAC name of [2-(cyclopropylmethylamino)quinolin-3-yl]methanol (CID 71862553) is [2-(cyclopropylmethylamino)quinolin-3-yl]methanol.
What is the SMILES notation for [2-(cyclopropylmethylamino)quinolin-3-yl]methanol?
The canonical SMILES for [2-(cyclopropylmethylamino)quinolin-3-yl]methanol is OCc1cc2ccccc2nc1NCC1CC1.
What is the InChIKey of [2-(cyclopropylmethylamino)quinolin-3-yl]methanol?
The InChIKey is QXDJMHLQPZEDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-9-12-7-11-3-1-2-4-13(11)16-14(12)15-8-10-5-6-10/h1-4,7,10,17H,5-6,8-9H2,(H,15,16).
What are the key properties of [2-(cyclopropylmethylamino)quinolin-3-yl]methanol?
[2-(cyclopropylmethylamino)quinolin-3-yl]methanol has a molecular weight of 228.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethylamino)quinolin-3-yl]methanol is sourced from PubChem (CID 71862553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).