cyclopropyl-[1-(quinolin-6-ylmethyl)pyrrol-3-yl]methanol

C18H18N2O — CID 79099098

IUPACcyclopropyl-[1-(quinolin-6-ylmethyl)pyrrol-3-yl]methanol
SMILESOC(c1ccn(Cc2ccc3ncccc3c2)c1)C1CC1
InChIInChI=1S/C18H18N2O/c21-18(14-4-5-14)16-7-9-20(12-16)11-13-3-6-17-15(10-13)2-1-8-19-17/h1-3,6-10,12,14,18,21H,4-5,11H2
InChIKeyDDXRTIOFKCQBJF-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.53
Rot. Bonds4

About cyclopropyl-[1-(quinolin-6-ylmethyl)pyrrol-3-yl]methanol

cyclopropyl-[1-(quinolin-6-ylmethyl)pyrrol-3-yl]methanol (PubChem CID 79099098) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is cyclopropyl-[1-(quinolin-6-ylmethyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[1-(quinolin-6-ylmethyl)pyrrol-3-yl]methanol
PubChem CID79099098
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Namecyclopropyl-[1-(quinolin-6-ylmethyl)pyrrol-3-yl]methanol
SMILESOC(c1ccn(Cc2ccc3ncccc3c2)c1)C1CC1
InChIInChI=1S/C18H18N2O/c21-18(14-4-5-14)16-7-9-20(12-16)11-13-3-6-17-15(10-13)2-1-8-19-17/h1-3,6-10,12,14,18,21H,4-5,11H2
InChIKeyDDXRTIOFKCQBJF-UHFFFAOYSA-N
XLogP3.53
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]methanol
CID 79231730
[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol
CID 107883249
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
1-cyclopropyl-N-methyl-3-quinolin-6-ylpropan-1-amine
CID 81221236
cyclopropyl(quinolin-6-yl)methanamine
CID 55273103
2-cycloheptyl-1-quinolin-6-ylethanol
CID 115826801
1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol
CID 81444006
cyclopropyl-(1-propylpyrrol-3-yl)methanol
CID 79097754
1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine
CID 79104183
cyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol
CID 79103901
6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline
CID 95829818
cyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol
CID 79103372

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-(quinolin-6-ylmethyl)pyrrol-3-yl]methanol?
The IUPAC name of cyclopropyl-[1-(quinolin-6-ylmethyl)pyrrol-3-yl]methanol (CID 79099098) is cyclopropyl-[1-(quinolin-6-ylmethyl)pyrrol-3-yl]methanol.
What is the SMILES notation for cyclopropyl-[1-(quinolin-6-ylmethyl)pyrrol-3-yl]methanol?
The canonical SMILES for cyclopropyl-[1-(quinolin-6-ylmethyl)pyrrol-3-yl]methanol is OC(c1ccn(Cc2ccc3ncccc3c2)c1)C1CC1.
What is the InChIKey of cyclopropyl-[1-(quinolin-6-ylmethyl)pyrrol-3-yl]methanol?
The InChIKey is DDXRTIOFKCQBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c21-18(14-4-5-14)16-7-9-20(12-16)11-13-3-6-17-15(10-13)2-1-8-19-17/h1-3,6-10,12,14,18,21H,4-5,11H2.
What are the key properties of cyclopropyl-[1-(quinolin-6-ylmethyl)pyrrol-3-yl]methanol?
cyclopropyl-[1-(quinolin-6-ylmethyl)pyrrol-3-yl]methanol has a molecular weight of 278.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-(quinolin-6-ylmethyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 79099098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).