4-chloro-2-phenanthren-9-ylquinazoline

C22H13ClN2 — CID 139327721

IUPAC4-chloro-2-phenanthren-9-ylquinazoline
SMILESClc1nc(-c2cc3ccccc3c3ccccc23)nc2ccccc12
InChIInChI=1S/C22H13ClN2/c23-21-18-11-5-6-12-20(18)24-22(25-21)19-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)19/h1-13H
InChIKeyZAFKOSAYFQGIGM-UHFFFAOYSA-N
MW340.81 g/mol
LogP6.26
Rot. Bonds1

About 4-chloro-2-phenanthren-9-ylquinazoline

4-chloro-2-phenanthren-9-ylquinazoline (PubChem CID 139327721) has the molecular formula C22H13ClN2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 4-chloro-2-phenanthren-9-ylquinazoline.

Molecular Properties

Compound Name4-chloro-2-phenanthren-9-ylquinazoline
PubChem CID139327721
Molecular FormulaC22H13ClN2
Molecular Weight340.81 g/mol
Exact Mass340.08
IUPAC Name4-chloro-2-phenanthren-9-ylquinazoline
SMILESClc1nc(-c2cc3ccccc3c3ccccc23)nc2ccccc12
InChIInChI=1S/C22H13ClN2/c23-21-18-11-5-6-12-20(18)24-22(25-21)19-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)19/h1-13H
InChIKeyZAFKOSAYFQGIGM-UHFFFAOYSA-N
XLogP6.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.81
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 29293283
4-chloro-2-(2-chloro-4-methylphenyl)quinazoline
CID 106860906
2-(5-bromo-2-chlorophenyl)-4-chloroquinazoline
CID 43378899
2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 123546565
4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline
CID 62504381
4-chloro-2-pyridin-2-ylquinazoline
CID 930716
4-chloro-2-(2,3,4-trifluorophenyl)quinazoline
CID 79749850
2-chloro-4-(4-phenanthren-9-ylphenyl)quinazoline
CID 142505066
4-chloro-2-(3-chloro-4-methylphenyl)quinazoline
CID 55197160
4-chloro-2-thiophen-3-ylquinazoline
CID 9291133
2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166009866
4-chloro-6-phenanthren-9-yl-2-phenylpyrimidine
CID 118641062

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenanthren-9-ylquinazoline?
The IUPAC name of 4-chloro-2-phenanthren-9-ylquinazoline (CID 139327721) is 4-chloro-2-phenanthren-9-ylquinazoline.
What is the SMILES notation for 4-chloro-2-phenanthren-9-ylquinazoline?
The canonical SMILES for 4-chloro-2-phenanthren-9-ylquinazoline is Clc1nc(-c2cc3ccccc3c3ccccc23)nc2ccccc12.
What is the InChIKey of 4-chloro-2-phenanthren-9-ylquinazoline?
The InChIKey is ZAFKOSAYFQGIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClN2/c23-21-18-11-5-6-12-20(18)24-22(25-21)19-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)19/h1-13H.
What are the key properties of 4-chloro-2-phenanthren-9-ylquinazoline?
4-chloro-2-phenanthren-9-ylquinazoline has a molecular weight of 340.81 g/mol, XLogP of 6.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenanthren-9-ylquinazoline is sourced from PubChem (CID 139327721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).