8-chloro-2-pyrrolidin-3-ylquinazoline

C12H12ClN3 — CID 105493795

IUPAC8-chloro-2-pyrrolidin-3-ylquinazoline
SMILESClc1cccc2cnc(C3CCNC3)nc12
InChIInChI=1S/C12H12ClN3/c13-10-3-1-2-8-7-15-12(16-11(8)10)9-4-5-14-6-9/h1-3,7,9,14H,4-6H2
InChIKeyLLAIMNMZPLREQI-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.36
Rot. Bonds1

About 8-chloro-2-pyrrolidin-3-ylquinazoline

8-chloro-2-pyrrolidin-3-ylquinazoline (PubChem CID 105493795) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 8-chloro-2-pyrrolidin-3-ylquinazoline.

Molecular Properties

Compound Name8-chloro-2-pyrrolidin-3-ylquinazoline
PubChem CID105493795
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name8-chloro-2-pyrrolidin-3-ylquinazoline
SMILESClc1cccc2cnc(C3CCNC3)nc12
InChIInChI=1S/C12H12ClN3/c13-10-3-1-2-8-7-15-12(16-11(8)10)9-4-5-14-6-9/h1-3,7,9,14H,4-6H2
InChIKeyLLAIMNMZPLREQI-UHFFFAOYSA-N
XLogP2.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-pyrrolidin-3-ylaniline
CID 117103718
8-pyrrolidin-3-ylquinoline;hydrochloride
CID 169498293
3-pyrrolidin-3-ylisoquinoline
CID 84774980
(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
CID 131096637
3-(2-chloro-6-methylphenyl)pyrrolidine
CID 117103928
7-chloro-1-methyl-2-pyrrolidin-3-ylindole
CID 84627998
2-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 84732954
3-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride
CID 169498555
5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026121
5-methylsulfonyl-2-pyrrolidin-3-ylpyrimidin-4-amine
CID 82386822
5-(3-chlorophenyl)-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129462471
3-chloro-5-pyrrolidin-3-ylimidazo[1,2-a]pyridine
CID 83838573

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-pyrrolidin-3-ylquinazoline?
The IUPAC name of 8-chloro-2-pyrrolidin-3-ylquinazoline (CID 105493795) is 8-chloro-2-pyrrolidin-3-ylquinazoline.
What is the SMILES notation for 8-chloro-2-pyrrolidin-3-ylquinazoline?
The canonical SMILES for 8-chloro-2-pyrrolidin-3-ylquinazoline is Clc1cccc2cnc(C3CCNC3)nc12.
What is the InChIKey of 8-chloro-2-pyrrolidin-3-ylquinazoline?
The InChIKey is LLAIMNMZPLREQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-10-3-1-2-8-7-15-12(16-11(8)10)9-4-5-14-6-9/h1-3,7,9,14H,4-6H2.
What are the key properties of 8-chloro-2-pyrrolidin-3-ylquinazoline?
8-chloro-2-pyrrolidin-3-ylquinazoline has a molecular weight of 233.70 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-pyrrolidin-3-ylquinazoline is sourced from PubChem (CID 105493795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).