2-chloro-3-phenyl-4H-quinazoline

C14H11ClN2 — CID 174952978

IUPAC2-chloro-3-phenyl-4H-quinazoline
SMILESClC1=Nc2ccccc2CN1c1ccccc1
InChIInChI=1S/C14H11ClN2/c15-14-16-13-9-5-4-6-11(13)10-17(14)12-7-2-1-3-8-12/h1-9H,10H2
InChIKeyLIFXWBFYZNRNIU-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.93
Rot. Bonds1

About 2-chloro-3-phenyl-4H-quinazoline

2-chloro-3-phenyl-4H-quinazoline (PubChem CID 174952978) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-chloro-3-phenyl-4H-quinazoline.

Molecular Properties

Compound Name2-chloro-3-phenyl-4H-quinazoline
PubChem CID174952978
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name2-chloro-3-phenyl-4H-quinazoline
SMILESClC1=Nc2ccccc2CN1c1ccccc1
InChIInChI=1S/C14H11ClN2/c15-14-16-13-9-5-4-6-11(13)10-17(14)12-7-2-1-3-8-12/h1-9H,10H2
InChIKeyLIFXWBFYZNRNIU-UHFFFAOYSA-N
XLogP3.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Deoxypeganine
CID 442894
1H,2H,3H,9H-pyrrolo[2,1-b]quinazoline hydrochloride
CID 3046290
1,2-Dimethyl-1H-perimidine
CID 215090
Perimidine, 1-methyl-
CID 209253
1,4-Dihydro-quinazolin-2-ylamine monohydrobromide
CID 45263885
3,4-Dihydro-6-(isopropyl)-3-(4-(isopropyl)phenyl)quinazoline
CID 99600
1-Prop-2-enylperimidine
CID 745096
1-Ethyl-1H-perimidine
CID 750289
1(2H)-Quinolinecarboximidamide, 3,4-dihydro-2-methyl-N-phenyl-, monohydrochloride
CID 3052007
6-Methyl-3-(p-tolyl)-3,4-dihydroquinazoline
CID 224464
3,4-dihydro-2(1H)-quinolinylidene(phenyl)amine
CID 780385
5-Phenyl-2,3-dihydroimidazo[1,2-c]quinazoline
CID 15620519

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-phenyl-4H-quinazoline?
The IUPAC name of 2-chloro-3-phenyl-4H-quinazoline (CID 174952978) is 2-chloro-3-phenyl-4H-quinazoline.
What is the SMILES notation for 2-chloro-3-phenyl-4H-quinazoline?
The canonical SMILES for 2-chloro-3-phenyl-4H-quinazoline is ClC1=Nc2ccccc2CN1c1ccccc1.
What is the InChIKey of 2-chloro-3-phenyl-4H-quinazoline?
The InChIKey is LIFXWBFYZNRNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-14-16-13-9-5-4-6-11(13)10-17(14)12-7-2-1-3-8-12/h1-9H,10H2.
What are the key properties of 2-chloro-3-phenyl-4H-quinazoline?
2-chloro-3-phenyl-4H-quinazoline has a molecular weight of 242.71 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-phenyl-4H-quinazoline is sourced from PubChem (CID 174952978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).