2-chloro-4-imidazol-1-ylquinazoline

C11H7ClN4 — CID 15187963

IUPAC2-chloro-4-imidazol-1-ylquinazoline
SMILESClc1nc(-n2ccnc2)c2ccccc2n1
InChIInChI=1S/C11H7ClN4/c12-11-14-9-4-2-1-3-8(9)10(15-11)16-6-5-13-7-16/h1-7H
InChIKeyNRYZMDHFEWLPDQ-UHFFFAOYSA-N
MW230.66 g/mol
LogP2.47
Rot. Bonds1

About 2-chloro-4-imidazol-1-ylquinazoline

2-chloro-4-imidazol-1-ylquinazoline (PubChem CID 15187963) has the molecular formula C11H7ClN4 and a molecular weight of 230.66 g/mol. Its IUPAC name is 2-chloro-4-imidazol-1-ylquinazoline.

Molecular Properties

Compound Name2-chloro-4-imidazol-1-ylquinazoline
PubChem CID15187963
Molecular FormulaC11H7ClN4
Molecular Weight230.66 g/mol
Exact Mass230.04
IUPAC Name2-chloro-4-imidazol-1-ylquinazoline
SMILESClc1nc(-n2ccnc2)c2ccccc2n1
InChIInChI=1S/C11H7ClN4/c12-11-14-9-4-2-1-3-8(9)10(15-11)16-6-5-13-7-16/h1-7H
InChIKeyNRYZMDHFEWLPDQ-UHFFFAOYSA-N
XLogP2.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-imidazol-1-ylquinazoline?
The IUPAC name of 2-chloro-4-imidazol-1-ylquinazoline (CID 15187963) is 2-chloro-4-imidazol-1-ylquinazoline.
What is the SMILES notation for 2-chloro-4-imidazol-1-ylquinazoline?
The canonical SMILES for 2-chloro-4-imidazol-1-ylquinazoline is Clc1nc(-n2ccnc2)c2ccccc2n1.
What is the InChIKey of 2-chloro-4-imidazol-1-ylquinazoline?
The InChIKey is NRYZMDHFEWLPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4/c12-11-14-9-4-2-1-3-8(9)10(15-11)16-6-5-13-7-16/h1-7H.
What are the key properties of 2-chloro-4-imidazol-1-ylquinazoline?
2-chloro-4-imidazol-1-ylquinazoline has a molecular weight of 230.66 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-imidazol-1-ylquinazoline is sourced from PubChem (CID 15187963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).