cyclopropyl-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]methanol

C18H18N2O — CID 79231730

IUPACcyclopropyl-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]methanol
SMILESOC(c1ccn(Cc2ccnc3ccccc23)c1)C1CC1
InChIInChI=1S/C18H18N2O/c21-18(13-5-6-13)15-8-10-20(12-15)11-14-7-9-19-17-4-2-1-3-16(14)17/h1-4,7-10,12-13,18,21H,5-6,11H2
InChIKeyVUWHFLSPLXYGQN-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.53
Rot. Bonds4

About cyclopropyl-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]methanol

cyclopropyl-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]methanol (PubChem CID 79231730) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is cyclopropyl-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]methanol
PubChem CID79231730
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Namecyclopropyl-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]methanol
SMILESOC(c1ccn(Cc2ccnc3ccccc23)c1)C1CC1
InChIInChI=1S/C18H18N2O/c21-18(13-5-6-13)15-8-10-20(12-15)11-14-7-9-19-17-4-2-1-3-16(14)17/h1-4,7-10,12-13,18,21H,5-6,11H2
InChIKeyVUWHFLSPLXYGQN-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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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]methanol?
The IUPAC name of cyclopropyl-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]methanol (CID 79231730) is cyclopropyl-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]methanol.
What is the SMILES notation for cyclopropyl-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]methanol?
The canonical SMILES for cyclopropyl-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]methanol is OC(c1ccn(Cc2ccnc3ccccc23)c1)C1CC1.
What is the InChIKey of cyclopropyl-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]methanol?
The InChIKey is VUWHFLSPLXYGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c21-18(13-5-6-13)15-8-10-20(12-15)11-14-7-9-19-17-4-2-1-3-16(14)17/h1-4,7-10,12-13,18,21H,5-6,11H2.
What are the key properties of cyclopropyl-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]methanol?
cyclopropyl-[1-(quinolin-4-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-4-ylmethyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 79231730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).