2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline

C18H16ClN3 — CID 914453

IUPAC2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
SMILESClc1ccccc1-c1nc(N2CCCC2)c2ccccc2n1
InChIInChI=1S/C18H16ClN3/c19-15-9-3-1-7-13(15)17-20-16-10-4-2-8-14(16)18(21-17)22-11-5-6-12-22/h1-4,7-10H,5-6,11-12H2
InChIKeyNGHYEEKKFIJXDP-UHFFFAOYSA-N
MW309.80 g/mol
LogP4.55
Rot. Bonds2

About 2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline

2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline (PubChem CID 914453) has the molecular formula C18H16ClN3 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
PubChem CID914453
Molecular FormulaC18H16ClN3
Molecular Weight309.80 g/mol
Exact Mass309.10
IUPAC Name2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
SMILESClc1ccccc1-c1nc(N2CCCC2)c2ccccc2n1
InChIInChI=1S/C18H16ClN3/c19-15-9-3-1-7-13(15)17-20-16-10-4-2-8-14(16)18(21-17)22-11-5-6-12-22/h1-4,7-10H,5-6,11-12H2
InChIKeyNGHYEEKKFIJXDP-UHFFFAOYSA-N
XLogP4.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline?
The IUPAC name of 2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline (CID 914453) is 2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline.
What is the SMILES notation for 2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline?
The canonical SMILES for 2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline is Clc1ccccc1-c1nc(N2CCCC2)c2ccccc2n1.
What is the InChIKey of 2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline?
The InChIKey is NGHYEEKKFIJXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3/c19-15-9-3-1-7-13(15)17-20-16-10-4-2-8-14(16)18(21-17)22-11-5-6-12-22/h1-4,7-10H,5-6,11-12H2.
What are the key properties of 2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline?
2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline has a molecular weight of 309.80 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline is sourced from PubChem (CID 914453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).