2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline

C18H15Cl2N3 — CID 914636

IUPAC2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline
SMILESClc1ccc(-c2nc(N3CCCC3)c3ccccc3n2)c(Cl)c1
InChIInChI=1S/C18H15Cl2N3/c19-12-7-8-13(15(20)11-12)17-21-16-6-2-1-5-14(16)18(22-17)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10H2
InChIKeyICWKEKKINJXTCT-UHFFFAOYSA-N
MW344.25 g/mol
LogP5.20
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline

2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline (PubChem CID 914636) has the molecular formula C18H15Cl2N3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline
PubChem CID914636
Molecular FormulaC18H15Cl2N3
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline
SMILESClc1ccc(-c2nc(N3CCCC3)c3ccccc3n2)c(Cl)c1
InChIInChI=1S/C18H15Cl2N3/c19-12-7-8-13(15(20)11-12)17-21-16-6-2-1-5-14(16)18(22-17)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10H2
InChIKeyICWKEKKINJXTCT-UHFFFAOYSA-N
XLogP5.20
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.25
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline (CID 914636) is 2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline is Clc1ccc(-c2nc(N3CCCC3)c3ccccc3n2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline?
The InChIKey is ICWKEKKINJXTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3/c19-12-7-8-13(15(20)11-12)17-21-16-6-2-1-5-14(16)18(22-17)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10H2.
What are the key properties of 2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline?
2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline has a molecular weight of 344.25 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline is sourced from PubChem (CID 914636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).