[2-[(1S,3S)-3-methoxycyclopentyl]quinolin-6-yl]methanol;[2-(3-methoxycyclopentyl)quinolin-6-yl]methanol

C32H38N2O4 — CID 176888185

IUPAC[2-[(1S,3S)-3-methoxycyclopentyl]quinolin-6-yl]methanol;[2-(3-methoxycyclopentyl)quinolin-6-yl]methanol
SMILESCOC1CCC(c2ccc3cc(CO)ccc3n2)C1.CO[C@H]1CC[C@H](c2ccc3cc(CO)ccc3n2)C1
InChIInChI=1S/2C16H19NO2/c2*1-19-14-5-3-13(9-14)16-7-4-12-8-11(10-18)2-6-15(12)17-16/h2*2,4,6-8,13-14,18H,3,5,9-10H2,1H3/t13-,14-;/m0./s1
InChIKeyAVIQPZNKLNHMPQ-IODNYQNNSA-N
MW514.67 g/mol
LogP6.02
Rot. Bonds6

About [2-[(1S,3S)-3-methoxycyclopentyl]quinolin-6-yl]methanol;[2-(3-methoxycyclopentyl)quinolin-6-yl]methanol

[2-[(1S,3S)-3-methoxycyclopentyl]quinolin-6-yl]methanol;[2-(3-methoxycyclopentyl)quinolin-6-yl]methanol (PubChem CID 176888185) has the molecular formula C32H38N2O4 and a molecular weight of 514.67 g/mol. Its IUPAC name is [2-[(1S,3S)-3-methoxycyclopentyl]quinolin-6-yl]methanol;[2-(3-methoxycyclopentyl)quinolin-6-yl]methanol.

Molecular Properties

Compound Name[2-[(1S,3S)-3-methoxycyclopentyl]quinolin-6-yl]methanol;[2-(3-methoxycyclopentyl)quinolin-6-yl]methanol
PubChem CID176888185
Molecular FormulaC32H38N2O4
Molecular Weight514.67 g/mol
Exact Mass514.28
IUPAC Name[2-[(1S,3S)-3-methoxycyclopentyl]quinolin-6-yl]methanol;[2-(3-methoxycyclopentyl)quinolin-6-yl]methanol
SMILESCOC1CCC(c2ccc3cc(CO)ccc3n2)C1.CO[C@H]1CC[C@H](c2ccc3cc(CO)ccc3n2)C1
InChIInChI=1S/2C16H19NO2/c2*1-19-14-5-3-13(9-14)16-7-4-12-8-11(10-18)2-6-15(12)17-16/h2*2,4,6-8,13-14,18H,3,5,9-10H2,1H3/t13-,14-;/m0./s1
InChIKeyAVIQPZNKLNHMPQ-IODNYQNNSA-N
XLogP6.02
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(1S,3S)-3-methoxycyclopentyl]quinolin-6-yl]methanol;[2-(3-methoxycyclopentyl)quinolin-6-yl]methanol?
The IUPAC name of [2-[(1S,3S)-3-methoxycyclopentyl]quinolin-6-yl]methanol;[2-(3-methoxycyclopentyl)quinolin-6-yl]methanol (CID 176888185) is [2-[(1S,3S)-3-methoxycyclopentyl]quinolin-6-yl]methanol;[2-(3-methoxycyclopentyl)quinolin-6-yl]methanol.
What is the SMILES notation for [2-[(1S,3S)-3-methoxycyclopentyl]quinolin-6-yl]methanol;[2-(3-methoxycyclopentyl)quinolin-6-yl]methanol?
The canonical SMILES for [2-[(1S,3S)-3-methoxycyclopentyl]quinolin-6-yl]methanol;[2-(3-methoxycyclopentyl)quinolin-6-yl]methanol is COC1CCC(c2ccc3cc(CO)ccc3n2)C1.CO[C@H]1CC[C@H](c2ccc3cc(CO)ccc3n2)C1.
What is the InChIKey of [2-[(1S,3S)-3-methoxycyclopentyl]quinolin-6-yl]methanol;[2-(3-methoxycyclopentyl)quinolin-6-yl]methanol?
The InChIKey is AVIQPZNKLNHMPQ-IODNYQNNSA-N. The full InChI is InChI=1S/2C16H19NO2/c2*1-19-14-5-3-13(9-14)16-7-4-12-8-11(10-18)2-6-15(12)17-16/h2*2,4,6-8,13-14,18H,3,5,9-10H2,1H3/t13-,14-;/m0./s1.
What are the key properties of [2-[(1S,3S)-3-methoxycyclopentyl]quinolin-6-yl]methanol;[2-(3-methoxycyclopentyl)quinolin-6-yl]methanol?
[2-[(1S,3S)-3-methoxycyclopentyl]quinolin-6-yl]methanol;[2-(3-methoxycyclopentyl)quinolin-6-yl]methanol has a molecular weight of 514.67 g/mol, XLogP of 6.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S,3S)-3-methoxycyclopentyl]quinolin-6-yl]methanol;[2-(3-methoxycyclopentyl)quinolin-6-yl]methanol is sourced from PubChem (CID 176888185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).