2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol

C14H16ClN3O — CID 112748767

IUPAC2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol
SMILESOCCC1CCCN1c1nc(Cl)nc2ccccc12
InChIInChI=1S/C14H16ClN3O/c15-14-16-12-6-2-1-5-11(12)13(17-14)18-8-3-4-10(18)7-9-19/h1-2,5-6,10,19H,3-4,7-9H2
InChIKeyADSLKCLYRKHTTR-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.63
Rot. Bonds3

About 2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol

2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol (PubChem CID 112748767) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol
PubChem CID112748767
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol
SMILESOCCC1CCCN1c1nc(Cl)nc2ccccc12
InChIInChI=1S/C14H16ClN3O/c15-14-16-12-6-2-1-5-11(12)13(17-14)18-8-3-4-10(18)7-9-19/h1-2,5-6,10,19H,3-4,7-9H2
InChIKeyADSLKCLYRKHTTR-UHFFFAOYSA-N
XLogP2.63
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol (CID 112748767) is 2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol is OCCC1CCCN1c1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol?
The InChIKey is ADSLKCLYRKHTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-14-16-12-6-2-1-5-11(12)13(17-14)18-8-3-4-10(18)7-9-19/h1-2,5-6,10,19H,3-4,7-9H2.
What are the key properties of 2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol?
2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol has a molecular weight of 277.75 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 112748767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).