4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline

C14H16ClN3 — CID 114800924

IUPAC4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline
SMILESClCCC1CCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C14H16ClN3/c15-7-5-11-6-8-18(9-11)14-12-3-1-2-4-13(12)16-10-17-14/h1-4,10-11H,5-9H2
InChIKeyTYMJLTBZTUAOSR-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.09
Rot. Bonds3

About 4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline

4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline (PubChem CID 114800924) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline
PubChem CID114800924
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline
SMILESClCCC1CCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C14H16ClN3/c15-7-5-11-6-8-18(9-11)14-12-3-1-2-4-13(12)16-10-17-14/h1-4,10-11H,5-9H2
InChIKeyTYMJLTBZTUAOSR-UHFFFAOYSA-N
XLogP3.09
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline
CID 63389905
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
4-(3-chloro-4-methylpiperidin-1-yl)quinazoline
CID 102960852
4-(3-chloropiperidin-1-yl)quinazoline
CID 55184238
5-chloro-4-[3-(2-chloroethyl)pyrrolidin-1-yl]pyrimidine
CID 105370757
N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559
4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline
CID 106838537
N-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide
CID 168791226
4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]quinazoline
CID 95155089
N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine
CID 115307565
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)quinazoline
CID 49227812
4-(azepan-1-yl)quinazoline
CID 5207391

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline?
The IUPAC name of 4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline (CID 114800924) is 4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline.
What is the SMILES notation for 4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline?
The canonical SMILES for 4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline is ClCCC1CCN(c2ncnc3ccccc23)C1.
What is the InChIKey of 4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline?
The InChIKey is TYMJLTBZTUAOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-7-5-11-6-8-18(9-11)14-12-3-1-2-4-13(12)16-10-17-14/h1-4,10-11H,5-9H2.
What are the key properties of 4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline?
4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline has a molecular weight of 261.76 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline is sourced from PubChem (CID 114800924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).